13C-13C Coupling-Constants in Carboxylate Esters

Autor:	M. Fortin, T. Morrison, J. Connolly, K. Pothier, M. Dinztner, M. Biondi, Ronald M. Jarret, Leonarda Cusumano
Rok vydání:	1993
Předmět:	Coupling constant chemistry.chemical_compound chemistry Stereochemistry Kinetic isotope effect Pulse sequence Carboxylate Nuclear magnetic resonance spectroscopy Medicinal chemistry Spectroscopy Benzoates Analytical Chemistry
Zdroj:	Microchemical Journal. 47:187-192
ISSN:	0026-265X
DOI:	10.1006/mchj.1993.1032
Popis:	Isotopic enrichment or a multipulse NMR experiment (INADEQUATE) was utilized to measure the 13 C- 13 C coupling constants for a collection of carboxylate esters. Significantly different values were measured for the C 2 C 3 bond of endo - and exo -2-norbornyl acetates. The 13 C- 13 C coupling constants for the CαCO bond of substituted methyl and ethyl acetates (YCCO 2 R: Y = Br, Cl, SH, CN, etc.) were in the range of 56 to 65Hz; the magnitude of J CC is substantially higher when the hybridization of Cα is sp 2 (as with benzoates and acrylates). The carbonyl carbons also displayed long range 13 C- 13 C couplings of 2.5 to 7.2 Hz.
Databáze:	OpenAIRE
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