YAKUGAKU ZASSHI
Online ISSN : 1347-5231
Print ISSN : 0031-6903
ISSN-L : 0031-6903
バルビツール酸誘導体のC-13 NMRスペクトル(第3報)
岡田 寿太郎江崎 俊之
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1975 年 95 巻 1 号 p. 56-67

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Carbon-13 nuclear magnetic resonance spectra of six barbituric acid derivatives were measured. In addition, extended Huckel calculations were carried out on 18 barbituric acid derivatives, and the following examinations were made. (1) Shielding constants, based on Pople's theory, were calculated. (2) Additive equations on atomic populations of sp3-hybridized carbons were calculated. (3) Monoionized state of 5-ethylbarbituric acid was estimated from the standpoint of total energy.
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© by the PHARMACEUTICAL SOCIETY OF JAPAN
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