Conformation and configuration of tertiary amines via GIAO-derived (13)C NMR chemical shifts and a multiple independent variable regression analysis

The (13)C chemical shifts of six tertiary amines of unambiguous conformational structure are compared to predicted (13)C NMR chemical shifts obtained via empirically scaled GIAO shieldings for geometries from MM3 molecular mechanics calculations. An average deviation, absolute value of Deltadelta(av...

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Bibliographic Details
Published inJournal of organic chemistry Vol. 66; no. 24; p. 7967
Main Authors Sebag, A B, Forsyth, D A, Plante, M A
Format Journal Article
LanguageEnglish
Published United States 30.11.2001
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