NMR Know-How

Analysis of 1D NMR Spectra

NMR spectroscopy is one of the most powerful tools when it comes to deriving structural information from isolated compounds as well as mixtures of compounds. The combination of, and relationship between, chemical shifts and coupling constants obtained through NMR measurements is one of the corner stones of the structure elucidation process. To assign the chemical shifts and coupling constants correctly and unambiguously to the atoms in the compound, a profound understanding of the underlying spin system composed by the atoms is required.

This book provides an introduction to some aspects of theory and interpretation of practically relevant spin systems that are frequently found in chemical substances from very small organic and inorganic molecules to even large biochemical molecules. Aliphatic, aromatic and other structural elements are discussed covering a variety of molecules containing both protons as well as X-nuclei like 19F and 31P and others. Many spectra have been collected and analyzed, which show the influence of various combinations of parameters on the spectral habitus. Reasons for the different appearance of the same type of spin system depending on the structural properties of the compound are investigated and explained by practically useful algebraic rules.

The wealth of information in this book will help judge the correctness of the analysis of NMR spectra. In addition, many useful tips are given with respect to the preparation and measurement of NMR samples to provide optimal condition for the acquisition of NMR data and best possible spectra quality. After all, only good data will allow you to obtain reliable structural information. This book will be a valuable source to understand NMR spectra obtained in multifaceted fields of chemistry.

Enjoy browsing through this “Guide to the Analysis of 1D NMR Spectra”.