Structure Determination of Organic Compounds: Tables of Spectral Data

Structure Determination of Organic Compounds presents in the form of texts, tables, charts and graphs a modern compilation of spectroscopic reference data for IR, UV/Vis, 1H- and 13C-NMR and MS. It includes prototype spectra of almost every important class of organic compounds as well as spectra of MALDI and FAB matrix materials. The book is intended as a short textbook and a hands-on guide for interpreting experimental spectral data and elucidating the chemical structure of the respective compound behind it. The concise texts include special chapters on fragmentation rules in mass spectrometry and on currently used multipulse and 2-D NMR techniques. The book is primarily designed for students to be used during courses and exercises. The use of the book requires only basic knowledge of spectroscopic techniques, but is structured in such a way that it will support practitioneers routinely faced with the task of interpreting such spectral information, and it will serve as data reference for specialists in the field.

The book begins with correlation tables for H and C NMR, IR, UV, and MS. The mass spectrometry sections includes common fragments, absolute masses, isotopes and isotope patterns of all the natural elements and halogen combinations. The next section contains combinations. The next section contains combination tables, based on functional group, which list the characteristic spectral values for each spectral method, with useful comments. This section would be a very valuable introduction for beginning students. The book comes with a CD which has programs for molecular drawing, all structures possible for a given formula, and estimation of H and C NMR chemical shifts, limited to 15 heavy atoms. R. Gary Amiet, Dept. of Appl. Chemistry, RMIT University Chemistry in Australia, Magazine of the Royal Australian Chemical Institute, 2001, Vol. 68, Issue 5, p. 36 This book is intended as a short textbook and a hands-on guide for interpreting experimental spectral data and elucidating the chemical structure of the compound behind it. This is the third, and completely revised, edition of the book whose earlier editions were highly successful. The new edition follows the same basic concepts as earlier editions, in that it provides a representative set of reference data for the interpretation of C NMR, H NMR, IR, mass and UV/Vis spectra. The amount of reference data has been doubled (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. The CD-ROM supplied with the book contains programs for estimating NMR chemical shifts and generating isomers based on structural information. An extensive hypertext-based tutorialdescribes the main features of the programs. The book should be considered as a supplement to textbooks and reference words dealing with the particular spectroscopic techniques which generate the data included in the book. The use of the book to interpret spectra only requires the knowledge of basic principles of the techniques, but the contents are structured in such a way that it will serve as a reference book also to specialists. LabPlus International (Belgium), 2001, Vol. 15, Issue 1 This volume continues a long-standing series of compilations of spectroscopic data and empirical rules to calculate spectroscopic parameters. These have never been arranged in a classical textbook fashion but were restricted to supplying a data body for comparison with experimental values. Although much work has been done over the years to develop experimental techniques avoiding the input of empirical data, data systems such as Pretsch's books are still of great importance. They often allow problem solutions without sophisticated techniques, specialized knowledge and additional spectrometer time beyond routine measurements. Practically all teachers in spectroscopy and countless students know these books and work continuously with them. The present volume, now authored by E. Pretsch, P. BA1/4hlmann and C. Affolter, is the latest in this series and has been greatly updated and enlarged. The size has mor or less doubled but the data arrangement has been retained according to the spectroscopic methods (C and H NMR, IR, MS, UV/Vis; Chapters 4-8) so that readers who are familiar with previous editions will find immediate access. Helmut Duddeck, Inst. of Org. Chemistry, Hannover/Germany Magnetic Resonance inChemistry, 2002, Vol. 40, Issue 3, p. 247