Produção Nacional
Revisado por pares
A theoretical and NMR study of the tautomerism of dehydroacetic acid
2000; Elsevier BV; Volume: 554; Issue: 2-3 Linguagem: Inglês
10.1016/s0022-2860(00)00674-8
ISSN1872-8014
AutoresMônica Zucolotto Chalaça, José Daniel Figueroa‐Villar,
Tópico(s)Chemical Thermodynamics and Molecular Structure
ResumoA 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.
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