Multinuclear Magnetic Resonance Spectroscopic and Semiempirical Molecular Orbital (AM1) Studies of Substituted Anisoles.

…, E Kolehmainen, T Nevalainen, R Kauppinen

Index: Pandiarajan, Karuppiah; Kabilan, Senthamaraikannan; Sankar, Punnaivanam; Kolehmainen,Erkki; Nevalainen, Tapio; Kauppinen, Reijo Bulletin of the Chemical Society of Japan, 1994 , vol. 67, # 10 p. 2639 - 2646

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Citation Number: 6

Abstract

13 C, 15 N, and 17 O NMR spectra have been recorded for 4-nitroanisole (1), its 2-methyl-, 2- chloro-, 2-bromo-, 2-iodo-, 2, 6-dimethyl-, 2, 6-dichloro-, 2, 6-dibromo-, and 2, 6-diiodo- derivatives 2—9, also nitrobenzene (1a), its 3-methyl-, 3-chloro-, 3-bromo-, and 3-iodo- derivatives 2a—5a and 3, 5-dichloro-and 3, 5-dibromo-derivatives 7a and 8a. Analysis of the chemical shifts of carbon bearing nitro group and nitro oxygens in these compounds ...

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