| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 9757103 | Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy | 2005 | 6 Pages |
Abstract
A detailed NMR analysis with total assignment of 1H and 13C NMR data for the endo and the exo adducts, obtained by Diels-Alder reaction between 2-cyclohexenone and cyclopentadiene, is described. The unequivocal assignment of the endo and exo structures was performed by 1H and 13C NMR. These assignments were supported by theoretical chemical shift calculations at GIAO/HF level using 6-311+g(2d,p) from optimized structures at the B3LYP/6-31g(d) level.
Related Topics
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Authors
Mauricio Gomes Constantino, Luiz Carlos da Silva Filho, Álvaro Cunha Neto, Vladimir Constantino Gomes Heleno, Gil Valdo José da Silva, João Luis Callegari Lopes,