Analytical Chemistry and Spectroscopy
Wiley InterScience Backfile Collection 1832-2000
Chemistry and Pharmacology
The 13C chemical shifts of 2-substituted and 2,6-disubstituted anthraquinones have been determined and assigned. The C-1, 2, 3, 4, 13 and C-14 chemical shifts of 2-substituted anthraquinones are correlated with the chemical shifts of monosubstituted benzenes. A three-parameter correlation with Swain and Lupton's F and R parameters and Schaefer's Q parameter provides relationships for the prediction of all chemical shifts of 2-substituted anthraquinones from the substituent parameters. Q values for the SCH3, OCOCH3, C2H5 and C(CH3)3 groups are proposed. The two types of correlations are compared for predicting chemical shifts.
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