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Protonenresonanz-Untersuchungen zur inneren Rotation VIII.
Konformationsanalyse α.α.o.o′-tetrasubstituierter Toluole mittels magnetischer Kernresonanz und halbempirischer Energieberechnung

Mannschreck, Albrecht ; Ernst, Ludger



Abstract

1H n.m.r. spectra and semi-empirical calculations of strain energies have shown that the ground state of the toluene derivative 3 is represented by conformation a (R CH3), the α-methine proton of which eclipses one of the o-methyl groups. Accordingly, the existence of two rotamers, e.g.15E and 15Z, was demonstrated in the case of the toluenes 15, 16, 17, 18, and 19 synthesized with two unequal o- ...

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