Carbon-13 NMR chemical shifts in some substituted 1,2,4-triazol-3-ones |
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Authors: | William M Litchman Ulrich Hollstein E Paul Papadopoulos |
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Abstract: | Carbon-13 NMR data for 15 substituted 1,2,4-triazol-3-ones are presented and discussed with regard to enolization in the neutral molecules. The coupling constant and chemical shift data show that the proton at N-2 is not exchanging rapidly in the DMSO-d6 solvent. Using D2O? OD? as a solvent, it is found that the C-3 and C-5 resonances are shifted downfield by nearly the same amount, suggesting that the proton at N-4 is being removed. Enolization in the neutral molecules does not occur to any significant extent. |
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