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2-(4",5"-Diphenyl-4H-1',2',4'-triazol-3-yl)benzoic acid
SpectraBase Compound ID BAhuBY2rveO
InChI InChI=1S/C21H15N3O2/c25-21(26)18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-14H,(H,25,26)
InChIKey VQOHXVUANVUQNV-UHFFFAOYSA-N
Mol Weight 341.37 g/mol
Molecular Formula C21H15N3O2
Exact Mass 341.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1pug7G39lAP
Name 2-(4",5"-Diphenyl-4H-1',2',4'-triazol-3-yl)benzoic acid
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O2
InChI InChI=1S/C21H15N3O2/c25-21(26)18-14-8-7-13-17(18)20-23-22-19(15-9-3-1-4-10-15)24(20)16-11-5-2-6-12-16/h1-14H,(H,25,26)
InChIKey VQOHXVUANVUQNV-UHFFFAOYSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2829
Molecular Weight 341.370 g/mol
SMILES OC(c1ccccc1-c1nnc([n]1-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-03dl-0239000000-e39abf7488496975d9b4
Source of Spectrum Y-54-2378-4a
Wiley ID 1878460