GC-mass spectrometric studies indicated a parent peak at m/e 102. The metabolite was identified as p-dioxane-2-one. Synthetic reference compound exhibited identical IR, NMR, and GC-mass spectra as the metabolite. The tentative pathway and the biological significance of dioxane metabolism are ...
(Varian, Willich, Germany); 1H-NMR (600 MHz), 13C-NMR (151 MHz): Agilent Technologies (Waldbronn, Germany) 600/54 premium spectrometer: δ in ppm related to tetramethylsilane; coupling constants are given with 0.5 Hz resolution; 1H- and 13C-NMR spectra are shown in the Supplementary ...