Empirical equations for predicting 13C chemical shifts in nuclear magnetic resonance spectra of certain types of amino acids
- 15 April 1976
- journal article
- research article
- Published by Canadian Science Publishing in Canadian Journal of Chemistry
- Vol. 54 (8) , 1226-1233
- https://doi.org/10.1139/v76-173
Abstract
13C chemical shift data were obtained for amino acids related to glycine which had the following types of substituents on C-2: alkyl, branched chain alkyl, ω-amino alkyl, and ω-guanido alkyl. Such data were obtained for aqueous solutions at a pH between the pK values of the carboxyl and 2-amino groups (zwitterion form). The data were subjected to graphical and statistical analysis to obtain separate predictive equations for C-1, C-2, and other carbon atoms. Data for the change in chemical shifts on titration with acid were also obtained to aid in 13C assignments and to elucidate configuration.Keywords
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