Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1236804 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2006 | 5 Pages |
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
Kleber Thiago de Oliveira, Valdemar Lacerda Júnior, Mauricio Gomes Constantino, Paulo Marcos Donate, Gil Valdo José da Silva, Timothy John Brocksom, Daniel Frederico,