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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-, ethyl ester

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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-, ethyl ester
SpectraBase Compound ID C686DWK37fu
InChI InChI=1S/C14H14N6O3/c1-3-22-14(21)10-11(9-6-4-8(2)5-7-9)20(19-16-10)13-12(15)17-23-18-13/h4-7H,3H2,1-2H3,(H2,15,17)
InChIKey VCKHHZPDSFEYTC-UHFFFAOYSA-N
Mol Weight 314.31 g/mol
Molecular Formula C14H14N6O3
Exact Mass 314.112738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IvURJsCgvyv
Name 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(4-methylphenyl)-, ethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 314.112738332 u
Formula C14H14N6O3
InChI InChI=1S/C14H14N6O3/c1-3-22-14(21)10-11(9-6-4-8(2)5-7-9)20(19-16-10)13-12(15)17-23-18-13/h4-7H,3H2,1-2H3,(H2,15,17)
InChIKey VCKHHZPDSFEYTC-UHFFFAOYSA-N
SMILES NC=1C(N2N=NC(=C2C2=CC=C(C=C2)C)C(=O)OCC)=NON1