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3-(2-Benzyl-2H-tetraazol-5-yl)benzoic acid
SpectraBase Compound ID JEOjF95Wqgw
InChI InChI=1S/C15H12N4O2/c20-15(21)13-8-4-7-12(9-13)14-16-18-19(17-14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21)
InChIKey TXHXPDAASUUSMM-UHFFFAOYSA-N
Mol Weight 280.29 g/mol
Molecular Formula C15H12N4O2
Exact Mass 280.096026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID YrvW6Eb48C
Name 3-(2-Benzyl-2H-tetraazol-5-yl)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12N4O2
InChI InChI=1S/C15H12N4O2/c20-15(21)13-8-4-7-12(9-13)14-16-18-19(17-14)10-11-5-2-1-3-6-11/h1-9H,10H2,(H,20,21)
InChIKey TXHXPDAASUUSMM-UHFFFAOYSA-N
Molecular Weight 280.287 g/mol
SMILES OC(c1cc(-c2nn[n](n2)Cc2ccccc2)ccc1)=O
SPLASH splash10-00bc-8980000000-402b086c962486410ad5
Synonyms 3-(2-benzyltetrazol-5-yl)benzoic acid 3-[2-(phenylmethyl)-1,2,3,4-tetrazol-5-yl]benzoic acid 3-[2-(phenylmethyl)-5-tetrazolyl]benzoic acid Benzoic acid, 3-(2-benzyl-2H-tetrazol-5-yl)-
Wiley ID 1446182