1H and 13C NMR spectra and rotational isomerism of 1,3‐dibromobutane

Abstract

AbstractThe 1H and 13C NMR spectra of 1,3‐dibromobutane were assigned using selective proton decoupling 1D and selective proton‐flip 2D experiments. The chemical shifts and spin‐spin coupling constants were obtained from complete spectral analysis of the experimental 1H and 13C spectra. The spectral parameters obtained are discussed in terms of conformational and stereospecific substituent effects. The rotamer populations were obtained from the vicinal coupling constants, and the rotamers in which the CH3 and CH2Br groups are situated trans to each other contribute as much as 69% of the staggered forms.