A theoretical and NMR study of the tautomerism of dehydroacetic acid

Abstract

A study of the tautomerism of dehydroacetic acid using 1H, 13C (solution and CP/MAS), gated 1H-decoupling techniques, deuterium-induced isotope effects on 13C chemical shifts, FUCOUP and molecular modeling with AM1, has showed that this compound exists as the 3-acetyl-4-hydroxy-6-methyl-2H-pyran-2-one in solution and in the solid state. © 2000 Elsevier Science B.V.