ISSN: 0022-1198
CODEN: JFSCA
Published Online: 1 April 1981
Page Count: 5

Carbon-13 Nuclear Magnetic Resonance Spectra of Trimethoxyamphetamines—A Comparison of Predicted with Experimental Results
Legault, D
Chief, Drug Research Laboratories, Health Protection Branch, Tunney's Pasture,

Bailey, K
Chief, Drug Research Laboratories, Health Protection Branch, Tunney's Pasture,

(Received 30 August 1980; accepted 25 September 1980)

Abstract

Chemical shifts of the ¹³C-nuclear magnetic resonance spectra of the six trimethoxyamphetamines were predicted from results previously found for the monomethoxyamphetamines and dimethoxyamphetamines. The spectra were then determined and the signals assigned by an internally consistent analysis in comparison with the predicted shifts. Data from the spectra and details of their interpretation are presented. The agreement between found and predicted chemical shifts is excellent. The information is valuable for the structural authentication of reference materials. Differences in the chemical shifts of the methoxyl signals are related to conformational effects. The ortho and para shielding parameters discerned can be used to predict the spectra and thus identify unknowns in the absence of reference material.

Keywords:
toxicology, chemical analysis, amphetamine

Paper ID: JFS11370J
DOI: 10.1520/JFS11370J
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