## Abstract Herein are presented the ^1^H and ^13^C NMR data for seven monohydroxyflavones (3β, 5β, 6β, 7β, 2β²β, 3β²β, and 4β²βhydroxyflavone), five dihydroxyflavones (3,2β²β, 3,3β²β, 3,4β²β, 3,6β, 2β²,3β²βdihydroxyflavone), a trihydroxyflavone (apigenin; 5,7,4β²βtrihydroxyflavone), a tetrahydroxyflavone (
Microcomputer prediction and assessment of substituted benzene 13C NMR chemical shifts
β Scribed by Richard Angus Hearmon; Hok-Ming Liu; Simon Laverick; Paul Tayler
- Publisher
- John Wiley and Sons
- Year
- 1992
- Tongue
- English
- Weight
- 496 KB
- Volume
- 30
- Category
- Article
- ISSN
- 0749-1581
No coin nor oath required. For personal study only.
β¦ Synopsis
Abstract
A ^13^C NMR chemical shift prediction and spectral assessment program was written in Turbo Prolog. Based on the large data compendium of Ewing it allows the rapid assessment of the spectralβstructural relationship for substituted benzene rings.
π SIMILAR VOLUMES
## Abstract A new incremental scheme for the calculation of the ^13^C NMR chemical shifts in polysubstituted benzenes with homogeneous substituents was derived and applied to spectral prediction for C~6~X~n~H~6βn~ where Xο£ΎCH~3~, C~2~H~5~, __i__βC~3~H~7~, CF~3~, F, Cl, Br, COOH. Owing to the use of
## Abstract ^13^C NMR spectra of a large number of polyalkylated benzenes with branched and linear aliphatic chains have been studied. This resulted in the development of a general procedure that can be used for the calculation of the aromatic chemical shifts in any polyalkylated benzene.
The complete assignment of the 1H and 13C NMR spectra of eight thienyl-substituted chromenes was achieved by the concerted application of homonuclear (gs-COSY), 1H-detected heteronuclear one-bond (gs-HMQC) and long-range (gs-HMBC) gradientselected correlation experiments.