An evaluation of high resolution nuclear magnetic resonance experiments and protocols in the structure elucidation of organic molecules. I. A relatively simple system, brucine

Abstract

Using a combination of one-dimensional (1D) and two-dimensional (2D) high resolution nmr methods, the ¹H nmr spectrum of brucine was fully assigned. The 2D J-resolved and homonuclear chemical shift correlated (COSY) experiments provided assignments without full structural information; this was obtained from nuclear Overhauser effect (nOe) enhancement experiments (1D and 2D). With the proton spectrum fully assigned, proton-bearing carbons in the ¹³C nmr spectrum were easily assigned using the 2D heteronuclear chemical shift correlation map (CSCM) experiment.