A theoretical and NMR study of the tautomerism of dehydroacetic acid

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Abstract

A study of the tautomerism of dehydroacetic acid using1H,13C (solution and CP/MAS), gated1H-decoupling techniques, deuterium-induced isotope effects on13C 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.

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Chalaça, M. Z., & Figueroa-Villar, J. D. (2000). A theoretical and NMR study of the tautomerism of dehydroacetic acid. Journal of Molecular Structure, 554(2–3), 225–231. https://doi.org/10.1016/S0022-2860(00)00674-8

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