Nuclear Magnetic Resonance Spectra of Benzoxazole-an Analysis of a Five-spin System
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A five-spin iterative analysis was performed for the nuclear magnetic resonance spectrum of the benzoxazole protons. The converged values of the coupling constants showed that the long-range couplings between the oxazole ring proton and the other protons were supported by the McConnell's theory on the π-electron coupling in aromatic molecules using molecular orbital method, and the analyses for all combinations of the signs of the two prominent long-range coupling constants indicated that these were of the same sign. There was no distinct correlation between the chemical shifts of the protons and the calculated π-electron densities.
- 社団法人日本薬学会の論文
- 1969-09-25
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