Tautomerism of Lactones and Related Compounds. Mass Spectrometic Data and Theoretical Calculations

Science Direct Working Paper No S1574-0331(04)70639-6

11 Pages Posted: 7 Jun 2017 Last revised: 13 Jan 2018

See all articles by Eduardo Alberto Castro

Eduardo Alberto Castro

Universidad Nacional de La Plata - Departamento de Quimica

P.E. Allgretti

Universidad Nacional de La Plata - Departamento de Quimica

M.S. Cortizo

Universidad Nacional de La Plata - Departamento de Quimica

C. Guzmán

Universidad Nacional de La Plata - Departamento de Quimica

J.J.P. Furlong

Universidad Nacional de La Plata - Departamento de Quimica

Date Written: April 2003

Abstract

The enolization degree of lactones and esters is favoured by the oxygen-sulfur exchange in the respective functional groups. The analysis of the corresponding mass spectra has allowed to assign unambiguously some fragments to specific tautomers and to establish an acceptable correlation between ion abundances ratios and AM1 theoretical calculations, which additionally support mass spectrometry as an adequate tool to evaluate tautomerism occurrence of neutral species.

Keywords: Tautomerism, Lactones, Mass spectrometry, Imidolization

Suggested Citation

Castro, Eduardo Alberto and Allgretti, P.E. and Cortizo, M.S. and Guzmán, C. and Furlong, J.J.P., Tautomerism of Lactones and Related Compounds. Mass Spectrometic Data and Theoretical Calculations (April 2003). Science Direct Working Paper No S1574-0331(04)70639-6, Available at SSRN: https://ssrn.com/abstract=2979763

Eduardo Alberto Castro (Contact Author)

Universidad Nacional de La Plata - Departamento de Quimica ( email )

Calle 47 y 115
La Plata, 1900
Argentina

P.E. Allgretti

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

M.S. Cortizo

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

C. Guzmán

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

J.J.P. Furlong

Universidad Nacional de La Plata - Departamento de Quimica

Calle 47 y 115
La Plata, 1900
Argentina

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