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3-[(4-nitrobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid
SpectraBase Compound ID 14EtsJycctB
InChI InChI=1S/C16H11N5O5/c22-15(11-6-8-12(9-7-11)21(25)26)18-20-14(16(23)24)13(17-19-20)10-4-2-1-3-5-10/h1-9H,(H,18,22)(H,23,24)
InChIKey CMLLPSXXZBBFPB-UHFFFAOYSA-N
Mol Weight 353.29 g/mol
Molecular Formula C16H11N5O5
Exact Mass 353.076018 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4yY7SwOhIFu
Name 3-[(4-nitrobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid
CAS Registry Number 113631-74-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11N5O5
InChI InChI=1S/C16H11N5O5/c22-15(11-6-8-12(9-7-11)21(25)26)18-20-14(16(23)24)13(17-19-20)10-4-2-1-3-5-10/h1-9H,(H,18,22)(H,23,24)
InChIKey CMLLPSXXZBBFPB-UHFFFAOYSA-N
Molecular Weight 353.294 g/mol
SMILES OC(c1[n](nnc1-c1ccccc1)NC(c1ccc(N(=O)=O)cc1)=O)=O
SPLASH splash10-0ufu-9800000000-52a610d6a152d867ccaa
Source of Spectrum Y-24-1278-5
Synonyms 3-[(4-nitrophenyl)carbonylamino]-5-phenyl-1,2,3-triazole-4-carboxylic acid 3-[[(4-nitrophenyl)-oxomethyl]amino]-5-phenyl-4-triazolecarboxylic acid
Wiley ID 1343808