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In the present study, 1-phenyl-2-thiobarbituric acid (1) was synthesized and the tautomerism of this compound was investigated by FT-IR spectroscopy, X-ray analysis and 1 H NMR study as well as quantum chemical calculations. It is found that compound 1 exists in triketo form in the solid state and in CDCl 3 solution while tautomerization was observed in DMSO-d 6 , DMF-d ...
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