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Complexation of theophylline with sodium benzoate: an NMR study.

The interaction of theophylline with sodium benzoate was examined by NMR to understand the mode of interaction. Chemical shifts of theophylline protons were determined as a function of sodium benzoate concentration in D2O at 30°. Several different concentrations of theophylline were used. Signals of both methyl groups undergo significant upfield shifts, indicating vertical or plane-to-plane stacking.