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3-[(4-chlorobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid
SpectraBase Compound ID JSeeHLaTJ4p
InChI InChI=1S/C16H11ClN4O3/c17-12-8-6-11(7-9-12)15(22)19-21-14(16(23)24)13(18-20-21)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,23,24)
InChIKey HSXZYBPOAWQMNX-UHFFFAOYSA-N
Mol Weight 342.74 g/mol
Molecular Formula C16H11ClN4O3
Exact Mass 342.051968 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3lHWanZAvhC
Name 3-[(4-chlorobenzoyl)amino]-5-phenyl-triazole-4-carboxylic acid
CAS Registry Number 113631-72-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11ClN4O3
InChI InChI=1S/C16H11ClN4O3/c17-12-8-6-11(7-9-12)15(22)19-21-14(16(23)24)13(18-20-21)10-4-2-1-3-5-10/h1-9H,(H,19,22)(H,23,24)
InChIKey HSXZYBPOAWQMNX-UHFFFAOYSA-N
Molecular Weight 342.742 g/mol
SMILES OC(c1[n](nnc1-c1ccccc1)NC(c1ccc(cc1)Cl)=O)=O
SPLASH splash10-0udl-7900000000-724c826294ec2e61b0d5
Source of Spectrum Y-24-1277-5
Synonyms 3-[(4-chlorophenyl)carbonylamino]-5-phenyl-1,2,3-triazole-4-carboxylic acid 3-[[(4-chlorophenyl)-oxomethyl]amino]-5-phenyl-4-triazolecarboxylic acid
Wiley ID 1336315