The Analysis of Nuclear Magnetic Resonance Spectra: I. Systems of Two and Three Nuclei

This paper is concerned with the general problem of the interpretation and analysis of nuclear magnetic resonance spectra of systems in which chemical shift and spin-coupling constants are of the same order of magnitude. Only nuclei of spin 1/2 are considered. Detailed methods are developed for:(a) Two chemically non-equivalent nuclei of the same species (written AB),(b) Three nuclei of the same species, two of which are equivalent (written AB 2 ),(c) Three nuclei (ABX), two of which are of the same species (AB) and the third (X) is either a different species or has a resonance signal well separated from A and B.Proton resonance spectra of S-guaiazulene, 2,6-lutidine, and 2,3-lutidine are reported and used as examples of the methods of analysis.