In addition to 1D NMR methods and 2D shift-correlated NMR techniques (COSY and HETCOR), spin-spin simulation and MMX calculations, to obtain the minimum energy conformation structure, were used for the complete 1 H and 13 C NMR assignments of stephalic acid.
Complete 1H and 13C NMR assignments of the epimeric menthane-1-carboxylic acids
โ Scribed by Debra K. Dillner; Daniel D. Traficante
- Publisher
- John Wiley and Sons
- Year
- 2007
- Tongue
- English
- Weight
- 93 KB
- Volume
- 45
- Category
- Article
- ISSN
- 0749-1581
- DOI
- 10.1002/mrc.1943
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โฆ Synopsis
Abstract
Complete NMR analyses with full assignments for ^1^H and ^13^C NMR spectral data for both epimers of menthaneโ1โcarboxylic acid are described. The NMR properties of the recently synthesized axial isomer had not been previously described, and through use of a variety of 1D and 2D techniques, additional information is provided for the equatorial isomer. As well as assignments of chemical shifts, homonuclear coupling constants were determined for the equatorial isomer and most of coupling constants were measured for the axial isomer. Published in 2007 by John Wiley & Sons, Ltd.
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