One-and two-dimensional NMR experiments were used for the unambiguous assignment of the 1 H and 13 C NMR chemical shifts of the furoquinoline alkaloid maculine (1) and the new furanocoumarin 3,8-dimethoxyfuro[3,2g]coumarin (2).
Conformational preferences of 2-methoxypyridine from 1H and 13C NMR and from STO-3G molecular orbital calculations
β Scribed by Wayne J. P. Blonski; Frank E. Hruska; Timothy A. Wildman
- Publisher
- John Wiley and Sons
- Year
- 1984
- Tongue
- English
- Weight
- 498 KB
- Volume
- 22
- Category
- Article
- ISSN
- 0749-1581
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## Abstract Established NMR criteria from ^1^H, ^13^C and 2D __J__βresolved ^13^C NMR spectra, and also ^1^H{^1^H} NOE experiments, were used to determine the constitution and configuration in a series of substituted pentaβ1,3βdienβ5βols.
Two conformations of the cis-cyclohexano-8-crown-3 molecule were detected at 185 K. From relative 13 C NMR peak area measurements, the conformation with the O-CH 2 -O unit equatorial was found to be favoured by 4.4 Ε‘ 0.4 kJ mol 1 . In the spectrum of the minor conformer at low temperature, a 9.6 ppm