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Organic Structure Determination Using 2 D NMR Spectroscopy

Organic Structure Determination Using 2 D NMR Spectroscopy Author Jeffrey H. Simpson
ISBN-10 9780123849700
Release 2012
Pages 574
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"The second edition of this book comes with a number of new figures, passages, and problems. Increasing the number of figures from 290 to 448 has necessarily added considerable length, weight, and, expense. It is my hope that the book has not lost any of its readability and accessibility. I firmly believe that most of the concepts needed to learn organic structure determination using nuclear magnetic resonance spectroscopy do not require an extensive mathematical background. It is my hope that the manner in which the material contained in this book is presented both reflects and validates this belief"--

Problems in Organic Structure Determination

Problems in Organic Structure Determination Author Roger G. Linington
ISBN-10 9781498719636
Release 2015-10-14
Pages 755
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At a point where most introductory organic chemistry texts end, this problems-based workbook picks up the thread to lead students through a graduated set of 120 problems. With extensive detailed spectral data, it contains a variety of problems designed by renowned authors to develop proficiency in organic structure determination. This workbook leads you from basic problems encountered in introductory organic chemistry textbooks to highly complex natural product-based problems. It presents a concept-based learning platform, introducing key concepts sequentially and reinforcing them with problems that exemplify the complexities and underlying principles that govern each concept. The book is organized in such a way that allows you to work through the problems in order or in selections according to your experience and desired area of mastery. It also provides access to raw data files online that can be downloaded and used for data manipulation using freeware or commercial software. With its problem-centered approach, integrated use of online and digital resources, and appendices that include notes and hints, Problems in Organic Structure Determination: A Practical Approach to NMR Spectroscopy is an outstanding resource for training students and professionals in structure determination.

Organic Structures from Spectra

Organic Structures from Spectra Author L. D. Field
ISBN-10 9781118325452
Release 2013-02-18
Pages 495
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The derivation of structural information from spectroscopic data is now an integral part of organic chemistry courses at all Universities. A critical part of any such course is a suitable set of problems to develop the student’s understanding of how structures are determined from spectra. Organic Structures from Spectra, Fifth Edition is a carefully chosen set of more than 280 structural problems employing the major modern spectroscopic techniques, a selection of 27 problems using 2D-NMR spectroscopy, more than 20 problems specifically dealing with the interpretation of spin-spin coupling in proton NMR spectra and 8 problems based on the quantitative analysis of mixtures using proton and carbon NMR spectroscopy. All of the problems are graded to develop and consolidate the student’s understanding of organic spectroscopy. The accompanying text is descriptive and only explains the underlying theory at a level which is sufficient to tackle the problems. The text includes condensed tables of characteristic spectral properties covering the frequently encountered functional groups. The examples themselves have been selected to include all important common structural features found in organic compounds and to emphasise connectivity arguments. Many of the compounds were synthesised specifically for this purpose. There are many more easy problems, to build confidence and demonstrate basic principles, than in other collections. The fifth edition of this popular textbook: includes more than 250 new spectra and more than 25 completely new problems; now incorporates an expanded suite of new problems dealing with the analysis of 2D NMR spectra (COSY, C‑H Correlation spectroscopy, HMBC, NOESY and TOCSY); has been expanded and updated to reflect the new developments in NMR and to retire older techniques that are no longer in common use; provides a set of problems dealing specifically with the quantitative analysis of mixtures using NMR spectroscopy; features proton NMR spectra obtained at 200, 400 and 600 MHz and 13C NMR spectra include DEPT experiments as well as proton-coupled experiments; contains 6 problems in the style of the experimental section of a research paper and two examples of fully worked solutions. Organic Structures from Spectra, Fifth Edition will prove invaluable for students of Chemistry, Pharmacy and Biochemistry taking a first course in Organic Chemistry. Contents - Preface -Introduction - Ultraviolet Spectroscopy - Infrared Spectroscopy - Mass Spectrometry - Nuclear Magnetic Resonance Spectroscopy – 2DNMR - Problems – Index Reviews from earlier editions “Your book is becoming one of the “go to” books for teaching structure determination here in the States. Great work!” “…I would definitely state that this book is the most useful aid to basic organic spectroscopy teaching in existence and I would strongly recommend every instructor in this area to use it either as a source of examples or as a class textbook”.—Magnetic Resonance in Chemistry “Over the past year I have trained many students using problems in your book - they initially find it as a task. But after doing 3-4 problems with all their brains activities... working out the rest of the problems become a mania. They get addicted to the problem solving and every time they solve a problem by themselves, their confident level also increases.” “I am teaching the fundamentals of Molecular Spectroscopy and your books represent excellent sources of spectroscopic problems for students.”

Organic Structure Analysis

Organic Structure Analysis Author Phillip Crews
ISBN-10 0195336046
Release 2010
Pages 636
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The most up-to-date integrated spectroscopy text available, Organic Structure Analysis, Second Edition, is the only text that teaches students how to solve structures as they are solved in actual practice. Ideal for advanced undergraduate and graduate courses in organic structure analysis, organic structure identification, and organic spectroscopy, it emphasizes real applications--integrating theory as needed--and introduces students to the latest spectroscopic methods. An Instructor's Resource CD-ROM, which includes all of the figures from the text in electronic format and the solutions to all of the exercises and problems from the text (in an editable Word file format), is also available for adopting professors. Please contact your publisher sales representative. FEATURES * Focus on Structure: Opens with structural elements and then considers the characteristics, advantages, and disadvantages of spectroscopic methods. Includes coverage of the steps used in determining a molecular structure, the limitations to organic structure determination by spectroscopic methods, and an "Organic Structure Analyses Gone Bad" table (all unique to this text) * Practical Organization: Presents the most commonly used methods first, beginning with an overview of strategies, followed by the use of NMR, and then moving on to mass spectrometry, infrared, and ultraviolet * Innovative Real-World Problem-Solving Approach: Follows the actual information flow used by chemists to solve molecular structures, as opposed to the standard methods-based approach of other texts * Unique Chapter (12) Featuring 51 Structure-Solving Problems: Each problem emphasizes a different method; the problems increase in difficulty throughout the chapter, successively building on students' knowledge and requiring them to integrate multiple methods to identify molecules. NEW TO THE SECOND EDITION * Coverage of the Latest Instrumental and Computational Advances: Examines the use of modern instruments, data processing, and computer-assisted structure elucidation techniques * Updated and Expanded Treatment of NMR (Chapters 2-5): An extensively revised Chapter 5 discusses multi-pulse 1D and 2D NMR methods, 1D TOCSY and 1D NOESY sequences, and using NOESY and ROESY in determining relative stereochemistry and solution conformation. * Additional Coverage of Mass Spectrometry: A new chapter (7) expands the discussion of mass spectrometry to three chapters (6-8). Topics include cutting-edge MS instrumentation and new information on tandem MS techniques, combining NMR with MS, large-molecule MS, chemo-informatics, and more. * More Exercises and Improved Spectra: The second edition includes 25% more problems than the previous edition (279 total). In addition, many of the spectra, including all of those presented in Chapters 11 and 12, have been reprocessed or reacquired for greater clarity.

Solving Problems with NMR Spectroscopy

Solving Problems with NMR Spectroscopy Author Atta-ur-Rahman
ISBN-10 9780124116139
Release 2015-08-18
Pages 534
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Solving Problems with NMR Spectroscopy, Second Edition, is a fully updated and revised version of the best-selling book. This new edition still clearly presents the basic principles and applications of NMR spectroscopy with only as much math as is necessary. It shows how to solve chemical structures with NMR by giving many new, clear examples for readers to understand and try, with new solutions provided in the text. It also explains new developments and concepts in NMR spectroscopy, including sensitivity problems (hardware and software solutions) and an extension of the multidimensional coverage to 3D NMR. The book also includes a series of applications showing how NMR is used in real life to solve advanced problems beyond simple small-molecule chemical analysis. This new text enables organic chemistry students to choose the most appropriate NMR techniques to solve specific structures. The problems provided by the authors help readers understand the discussion more clearly and the solution and interpretation of spectra help readers become proficient in the application of important, modern 1D, 2D, and 3D NMR techniques to structural studies. Explains and presents the most important NMR techniques used for structural determinations Offers a unique problem-solving approach for readers to understand how to solve structure problems Uses questions and problems, including discussions of their solutions and interpretations, to help readers understand the fundamentals and applications of NMR Avoids use of extensive mathematical formulas and clearly explains how to implement NMR structure analysis Foreword by Nobel Prize winner Richard R. Ernst New to This Edition Key developments in the field of NMR spectroscopy since the First Edition in 1996 New chapter on sensitivity enhancement, a key driver of development in NMR spectroscopy New concepts such as Pulse Field Gradients, shaped pulses, and DOSY (Diffusion Order Spectroscopy) in relevant chapters More emphasis on practical aspects of NMR spectroscopy, such as the use of Shigemi tubes and various types of cryogenic probes Over 100 new problems and questions addressing the key concepts in NMR spectroscopy Improved figures and diagrams More than 180 example problems to solve, with detailed solutions provided at the end of each chapter

Spectrometric Identification of Organic Compounds

Spectrometric Identification of Organic Compounds Author Robert M. Silverstein
ISBN-10 9780470616376
Release 2014-09-29
Pages 464
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Includes bibliographical references and index.

Tables of Spectral Data for Structure Determination of Organic Compounds

Tables of Spectral Data for Structure Determination of Organic Compounds Author Ernö Pretsch
ISBN-10 9783662224557
Release 2013-06-29
Pages 318
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Although numerical data are, in principle, universal, the compilations presented in this book are extensively annotated and interleaved with text. This translation of the second German edition has been prepared to facilitate the use of this work, with all its valuable detail, by the large community of English-speaking scientists. Translation has also provided an opportunity to correct and revise the text, and to update the nomenclature. Fortunately, spectroscopic data and their relationship with structure do not change much with time so one can predict that this book will, for a long period of time, continue to be very useful to organic chemists involved in the identification of organic compounds or the elucidation of their structure. Klaus Biemann Cambridge, MA, April 1983 Preface to the First German Edition Making use of the information provided by various spectroscopic tech niques has become a matter of routine for the analytically oriented organic chemist. Those who have graduated recently received extensive training in these techniques as part of the curriculum while their older colleagues learned to use these methods by necessity. One can, therefore, assume that chemists are well versed in the proper choice of the methods suitable for the solution of a particular problem and to translate the experimental data into structural information.

Structure Determination of Organic Compounds

Structure Determination of Organic Compounds Author Ernö Pretsch
ISBN-10 9783662042014
Release 2013-03-09
Pages 421
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While modem techniques of nuclear magnetic resonance and mass spectrometry changed the ways of data acquisition and greatly extended the capabilities of these methods, the basic parameters, such as chemical shifts, coupling constants, and fragmentation pathways remain the same. This explains the ongoing success of the earlier editions of this book. However, since the amount of available data has considerably increased over the years, we decided to prepare an entirely new manuscript. It follows the same basic concepts, i. e. , it provides a representative, albeit limited set of reference data for the interpretation of 13C NMR, 1 H NMR, IR, mass, and UV Nis spectra. On the other hand, the book has undergone a number of changes. The amount of reference data has been doubled at least (especially for MS and IR) and the order and selection of data for the various spectroscopic methods is now arranged strictly in the same way. In addition, the the enclosed compact disc contains programs for estimating NMR chemical shifts and generating isomers based on structural information. Unfortunately, our teachers and colleagues, Prof. Wilhelm Simon and Prof. Thomas Clerc are no longer among us, and Prof. Joseph Seibl has retired years ago. Their contributions to developing the concept and the earlier editions of this work cannot be overemphasized. We also thank numerous colleagues who helped us in many different ways to complete the manuscript. Weare particularly indebted to Dr.

High resolution NMR Techniques in Organic Chemistry

High resolution NMR Techniques in Organic Chemistry Author Timothy D. W. Claridge
ISBN-10 9780080546285
Release 2009
Pages 383
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"Nuclear Magnetic Resonance (NMR) Spectroscopy remains the foremost analytical technique for the structure elucidation of organic molecules and an indispensable tool for the synthetic, medicinal and natural product chemist. New techniques continue to emerge and the application of NMR methods continues to expand. High-Resolution NMR Techniques in Organic Chemistry is designed for use in academic and industrial NMR facilities, as a text for graduate-level NMR courses, and as an accessible reference for the chemist's or spectroscopist's desk." --Book Jacket.

NMR From Spectra to Structures

NMR   From Spectra to Structures Author Terence N. Mitchell
ISBN-10 9783540721963
Release 2007-08-14
Pages 207
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This practice-oriented textbook shows how to utilize the huge variety of NMR experiments available today in addition to standard experiments. Intended as a practical guide for students and laboratory personnel, it treats theoretical aspects only to the extent necessary to understand the experiments and to interpret the results. The book is significantly revised and expanded for the 2nd edition, and now includes the nuclei 1H/2H, 13C, 31P, 17O, 15N, 19F, 29Si, 77Se, 113Cd, 117Sn/119Sn, 195Pt, 207Pb and a new chapter on solid state NMR. An expanded set of 50 graded problems offers invaluable help for students, practitioners and laboratory personnel alike.

Pharmaceutical Analysis

Pharmaceutical Analysis Author David G. Watson
ISBN-10 9780702069888
Release 2015-12-24
Pages 480
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Pharmaceutical analysis determines the purity, concentration, active compounds, shelf life, rate of absorption in the body, identity, stability, rate of release etc. of a drug. Testing a pharmaceutical product involves a variety of chemical, physical and microbiological analyses. It is reckoned that over £10 billion is spent annually in the UK alone on pharmaceutical analysis, and the analytical processes described in this book are used in industries as diverse as food, beverages, cosmetics, detergents, metals, paints, water, agrochemicals, biotechnological products and pharmaceuticals. This is the key textbook in pharmaceutical analysis, now revised and updated for its fourth edition. Worked calculation examples Self-assessment Additional problems (self tests) Practical boxes Key points boxes New chapter on Biotech products. New chapter on electrochemical methods in diagnostics. Greatly extended chapter on molecular emission spectroscopy to accommodate developments and innovations in the area. Now on StudentConsult

NMR Spectroscopy Explained

NMR Spectroscopy Explained Author Neil E. Jacobsen
ISBN-10 0470173343
Release 2007-09-10
Pages 640
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NMR Spectroscopy Explained : Simplified Theory, Applications and Examples for Organic Chemistry and Structural Biology provides a fresh, practical guide to NMR for both students and practitioners, in a clearly written and non-mathematical format. It gives the reader an intermediate level theoretical basis for understanding laboratory applications, developing concepts gradually within the context of examples and useful experiments. Introduces students to modern NMR as applied to analysis of organic compounds. Presents material in a clear, conversational style that is appealing to students. Contains comprehensive coverage of how NMR experiments actually work. Combines basic ideas with practical implementation of the spectrometer. Provides an intermediate level theoretical basis for understanding laboratory experiments. Develops concepts gradually within the context of examples and useful experiments. Introduces the product operator formalism after introducing the simpler (but limited) vector model.

Basic One and Two Dimensional NMR Spectroscopy

Basic One  and Two Dimensional NMR Spectroscopy Author Horst Friebolin
ISBN-10 3527327827
Release 2010-12-28
Pages 442
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This is the fifth edition of the highly successful, classic textbook for bachelor and master courses, with over 20 % new material and the contents completely revised and updated. Using a minimum of mathematics, it explains the underlying theory of this most important spectroscopic technique in a thorough, yet readily understandable way, covering instrumentation and interpretation of the spectra. It presents all students need to know about 1D, 2D-NMR, solid state and dynamic NMR spectroscopy, as well as NMR imaging, all illustrated by examples for maximum clarity. All the sections include sub-chapters that focus on applications taken from organic, macromolecular, polymer and biochemistry. A must for students and lecturers in chemistry, biochemistry, pharmacy, and life sciences, as well as for spectroscopists.

NMR Data Interpretation Explained

NMR Data Interpretation Explained Author Neil E. Jacobsen
ISBN-10 9781119047148
Release 2016-10-21
Pages 648
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Through numerous examples, the principles of the relationship between chemical structure and the NMR spectrum are developed in a logical, step-by-step fashion Includes examples and exercises based on real NMR data including full 600 MHz one- and two-dimensional datasets of sugars, peptides, steroids and natural products Includes detailed solutions and explanations in the text for the numerous examples and problems and also provides large, very detailed and annotated sets of NMR data for use in understanding the material Describes both simple aspects of solution-state NMR of small molecules as well as more complex topics not usually covered in NMR books such as complex splitting patterns, weak long-range couplings, spreadsheet analysis of strong coupling patterns and resonance structure analysis for prediction of chemical shifts Advanced topics include all of the common two-dimensional experiments (COSY, ROESY, NOESY, TOCSY, HSQC, HMBC) covered strictly from the point of view of data interpretation, along with tips for parameter settings

Understanding NMR Spectroscopy

Understanding NMR Spectroscopy Author James Keeler
ISBN-10 9781119964933
Release 2011-09-19
Pages 526
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This text is aimed at people who have some familiarity with high-resolution NMR and who wish to deepen their understanding of how NMR experiments actually ‘work’. This revised and updated edition takes the same approach as the highly-acclaimed first edition. The text concentrates on the description of commonly-used experiments and explains in detail the theory behind how such experiments work. The quantum mechanical tools needed to analyse pulse sequences are introduced set by step, but the approach is relatively informal with the emphasis on obtaining a good understanding of how the experiments actually work. The use of two-colour printing and a new larger format improves the readability of the text. In addition, a number of new topics have been introduced: How product operators can be extended to describe experiments in AX2 and AX3 spin systems, thus making it possible to discuss the important APT, INEPT and DEPT experiments often used in carbon-13 NMR. Spin system analysis i.e. how shifts and couplings can be extracted from strongly-coupled (second-order) spectra. How the presence of chemically equivalent spins leads to spectral features which are somewhat unusual and possibly misleading, even at high magnetic fields. A discussion of chemical exchange effects has been introduced in order to help with the explanation of transverse relaxation. The double-quantum spectroscopy of a three-spin system is now considered in more detail. Reviews of the First Edition “For anyone wishing to know what really goes on in their NMR experiments, I would highly recommend this book” – Chemistry World “…I warmly recommend for budding NMR spectroscopists, or others who wish to deepen their understanding of elementary NMR theory or theoretical tools” – Magnetic Resonance in Chemistry

Advanced Organic Spectroscopy Tools for Beginning Organic Spectroscopists

Advanced Organic Spectroscopy Tools for Beginning Organic Spectroscopists Author Phil Beauchamp
ISBN-10 1537473484
Release 2016-09-20
Pages 374
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The goal of this book is to show beginning organic students how to interpret modern organic spectra to solve challenging organic structures, using IR, MS, 1H, 13C, DEPT and several 2D variations of NMR (COSY, HSQC/HETCOR and HMBC). Theory and instrumentation are not emphasized, but are sufficiently explained so that students have a basic idea about how each method works. Simulated spectra are used to remove real-life complexities that make structures too difficult for beginners to solve.It is exciting for beginning students to learn how to correctly generate an organic structure from a hodgepodge of lines and numbers. This book will show how to do that. A very specific plan of attack is presented to approach every problem in a step-by-step fashion, including a one page worksheet to summarize and organize the information to help focus their thinking for every "What if...'" question that might arise. Many simple problems are presented to show the mechanical steps of how each method is used to help solve organic structures. More complex problems are designed to be simple enough for beginning students, yet complex enough to require a sustained effort to solve using advanced NMR methods. Real molecules are not used, thereby avoiding the difficulties of overlapping peaks and/or extraneous peaks that should not be there and/or missing peaks that should be there. Students will find a clear path to a correct structure, without encountering real-life frustrations. Most of the common functional group features of organic chemistry are included. Oxygen (alcohols, ethers, esters), nitrogen (amines, amides, nitriles, nitro), halogens and/or sulfur atoms are included at key locations so that chemical shifts are different enough to distinguish each type of proton and carbon in the 1H, 13C, COSY, HETCOR/HSQC and HMBC spectra. This minimizes overlap so that the spectra are easier to interpret for beginning students. It is really the various types of NMR spectra that solve a structure. For the more complex problems, 1H, 13C, DEPT, COSY, HETCOR/HSQC and HMBC are included. An IR chapter is included and a simulated IR is provided in structure problems to provide helpful functional group clues, and details about how alkenes and/or aromatic rings are substituted. In the mass spectrometry chapter, examples of the most common organic monofunctional groups are presented and discussed. However, in complex structure problems, MS is mainly used to provide a molecular weight and indicate the presence of nitrogen, chlorine, bromine and/or sulfur when they are present. These clues can be used to obtain a molecular formula and degrees of unsaturation. Pi bonds can be distinguished from rings using the 13C, which provides a good starting point for solving a structure. Problems range from: shorter structure problems that show how each technique can provide clues to solve a structure; to intermediate level problems that require multiple techniques; to very challenging structure problems that require all of the techniques presented in this book. This workbook will work best for students who are learning basic organic structure determination, and want or need to build on what they are learning to take it to the next level. This can be accomplished in a classroom setting or through self-study by motivated students. If you are an instructor who loves spectroscopy, you might consider trying this approach in one of your course settings to judge for yourself if it works for you and your students. If you are an interested student who can't get enough spectroscopy, just have fun working problems.

NMR Spectroscopy in Pharmaceutical Analysis

NMR Spectroscopy in Pharmaceutical Analysis Author Iwona Wawer
ISBN-10 9780080951522
Release 2017-07-07
Pages 528
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For almost a decade, quantitative NMR spectroscopy (qNMR) has been established as valuable tool in drug analysis. In all disciplines, i. e. drug identification, impurity profiling and assay, qNMR can be utilized. Separation techniques such as high performance liquid chromatography, gas chromatography, super fluid chromatography and capillary electrophoresis techniques, govern the purity evaluation of drugs. However, these techniques are not always able to solve the analytical problems often resulting in insufficient methods. Nevertheless such methods find their way into international pharmacopoeias. Thus, the aim of the book is to describe the possibilities of qNMR in pharmaceutical analysis. Beside the introduction to the physical fundamentals and techniques the principles of the application in drug analysis are described: quality evaluation of drugs, polymer characterization, natural products and corresponding reference compounds, metabolism, and solid phase NMR spectroscopy for the characterization drug substances, e.g. the water content, polymorphism, and drug formulations, e.g. tablets, powders. This part is accompanied by more special chapters dealing with representative examples. They give more detailed information by means of concrete examples. Combines theory, techniques, and concrete applications—all of which closely resemble the laboratory experience Considers international pharmacopoeias, addressing the concern for licensing Features the work of academics and researchers, appealing to a broad readership