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2-4'-(4"-Chlorophenyl)-5-phenyl-4H-1',2',4'-triazol-3'-yl)benzoicacid
SpectraBase Compound ID LxR9q8LsBOc
InChI InChI=1S/C21H14ClN3O2/c22-15-10-12-16(13-11-15)25-19(14-6-2-1-3-7-14)23-24-20(25)17-8-4-5-9-18(17)21(26)27/h1-13H,(H,26,27)
InChIKey SVSWZOVWALSPIV-UHFFFAOYSA-N
Mol Weight 375.82 g/mol
Molecular Formula C21H14ClN3O2
Exact Mass 375.077454 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DE2sZZx2pqB
Name 2-4'-(4"-Chlorophenyl)-5-phenyl-4H-1',2',4'-triazol-3'-yl)benzoicacid
Appearance Pale yellow crystals
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Formula C21H14ClN3O2
InChI InChI=1S/C21H14ClN3O2/c22-15-10-12-16(13-11-15)25-19(14-6-2-1-3-7-14)23-24-20(25)17-8-4-5-9-18(17)21(26)27/h1-13H,(H,26,27)
InChIKey SVSWZOVWALSPIV-UHFFFAOYSA-N
Instrument Name Finnigan Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2829
Molecular Weight 375.815 g/mol
SMILES OC(c1ccccc1-c1nnc([n]1-c1ccc(cc1)Cl)-c1ccccc1)=O
SPLASH splash10-03di-1319000000-8d4ab9b9587a1007c74b
Source of Spectrum Y-54-2378-4d
Wiley ID 1878463