Volume 26, Issue 2 (April 1981)

    Carbon-13 Nuclear Magnetic Resonance Spectra of Trimethoxyamphetamines—A Comparison of Predicted with Experimental Results

    (Received 30 August 1980; accepted 25 September 1980)

    Published Online: April

    CODEN: JFSOAD

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    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.


    Author Information:

    Legault, D
    Chief, Drug Research Laboratories, Health Protection Branch, Tunney's Pasture, Ottawa,

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


    Stock #: JFS11370J

    ISSN: 0022-1198

    DOI: 10.1520/JFS11370J

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    Title Carbon-13 Nuclear Magnetic Resonance Spectra of Trimethoxyamphetamines—A Comparison of Predicted with Experimental Results
    Symposium , 0000-00-00
    Committee E30