NMR Deconvolution: Quantitative Profiling of Isomeric Mixtures

Abstract

A method involving NMR band deconvolution has been applied to the instructional/research activities at the undergraduate level. Three case studies are presented to illustrate how unresolved peaks of H and C NMR spectra can used to obtain quantitative data on isomeric composition. The data generation is rapid and the method can be applied to any organic chemistry laboratory curriculum/research program involving the analysis of NMR spectra. The incorporation of NMR band deconvolutions offers an ideal platform to transition from qualitative to quantitative discernment of NMR data.