Prediction of 13C NMR chemical shifts in substituted naphthalenes
✍ Scribed by C. A. L. Mahaffy; J. R. Nanney; R. E. Jetton
- Publisher
- Springer
- Year
- 1999
- Tongue
- English
- Weight
- 108 KB
- Volume
- 101
- Category
- Article
- ISSN
- 1432-2234
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## 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 spectral–structural relationship for substituted benzene rings.
## Abstract Proton‐coupled as well as noise‐decoupled ^13^C NMR spectra of several substituted naphthalenes have been studied. Complete assignments of the ^13^C signals based on selectively deuterated derivatives and on the ^13^C^1^H coupling pattern have been made. For the methoxynaphthalenes, ac
There are many literature examples correlating C-13 n.m.r. substituent chemical shifts in substituted benzenes with Bsamett substituent constants.' The direction of these substituent chemical shifts has been logically explained in terms of substituent electronic properties; the electron donors resul