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Benzoic acid, 4-[[[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-3-yl]carbonyl]amino]-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Benzoic acid, 4-[[[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-3-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID 7EPgxPpDFCj
InChI InChI=1S/C13H11N7O3/c1-23-12(22)8-2-4-9(5-3-8)16-11(21)10-17-13(19-18-10)20-6-14-15-7-20/h2-7H,1H3,(H,16,21)(H,17,18,19)
InChIKey GNAVCEFAELMLDT-UHFFFAOYSA-N
Mol Weight 313.28 g/mol
Molecular Formula C13H11N7O3
Exact Mass 313.092337 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1CENLTzBNw
Name Benzoic acid, 4-[[[5-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazol-3-yl]carbonyl]amino]-, methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H11N7O3
InChI InChI=1S/C13H11N7O3/c1-23-12(22)8-2-4-9(5-3-8)16-11(21)10-17-13(19-18-10)20-6-14-15-7-20/h2-7H,1H3,(H,16,21)(H,17,18,19)
InChIKey GNAVCEFAELMLDT-UHFFFAOYSA-N
Molecular Weight 313.277 g/mol
SMILES N(C(c1nc(-[n]2cnnc2)[nH]n1)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-0002-9800000000-2b9c655fe165a219011e
Source of Spectrum IY-1-4487-8
Synonyms 4-[[oxo-[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]methyl]amino]benzoic acid methyl ester Methyl 4-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carbonyl]amino]benzoate Methyl 4-[[3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazol-5-yl]carbonylamino]benzoate
Wiley ID 1652861
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