A 13C NMR spectroscopy study of the structure of N-H pyrazoles and indazoles

The 13 C chemical shifts and some 1 H- 13 C coupling constants of 23 pyrazoles and indazoles are reported and discussed. The spectra were recorded in CDCl 3 and in DMSO-d 6 solutions and, in several cases, also in the solid state (CP/MAS technique). These data allow us to determine the tautomerism o...

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Published in:Canadian journal of chemistry 1993-05, Vol.71 (5), p.678-684
Main Authors: Lopez, Concepcion, Claramunt, Rosa Ma, Trofimenko, Swiatoslaw, Elguero, José
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Nuclear resonance and relaxation
Physics
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container_issue 5
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container_title Canadian journal of chemistry
container_volume 71
creator Lopez, Concepcion
Claramunt, Rosa Ma
Trofimenko, Swiatoslaw
Elguero, José
description The 13 C chemical shifts and some 1 H- 13 C coupling constants of 23 pyrazoles and indazoles are reported and discussed. The spectra were recorded in CDCl 3 and in DMSO-d 6 solutions and, in several cases, also in the solid state (CP/MAS technique). These data allow us to determine the tautomerism of these compounds in the solid state (usually only one tautomer) and in solution. The position of the tautomeric equilibrium is related to the Hammett σ m value of the 3(5)-substituent.
doi_str_mv 10.1139/v93-092
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subjects Atomic and molecular physics
Exact sciences and technology
Molecular properties and interactions with photons
Nuclear resonance and relaxation
Physics
title A 13C NMR spectroscopy study of the structure of N-H pyrazoles and indazoles
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