Article ID Journal Published Year Pages File Type
1236804 Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 2006 5 Pages PDF
Abstract

A detailed analysis with total assignment of 1H and 13C NMR spectral data for a cycloheptenone derivative, a key intermediate for the synthesis of perhydroazulene terpenoids, is related. These assignments are based on 1D 1H and 13C NMR and on 2D NMR techniques including gCOSY, gHSQC, gHMBC, J-resolved and NOEDIF experiments. The unequivocal assignments were supported by theoretical chemical shifts and scalar coupling constant calculations at GIAO B3LYP/cc-pVDZ level from optimized structures at the same level of theory.

Keywords
Related Topics
Physical Sciences and Engineering Chemistry Analytical Chemistry
Authors
, , , , , , ,