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2-(1H-Tetraazol-5-yl)benzoic acid
SpectraBase Compound ID 8Wswg3LGOGj
InChI InChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey QRKJBXMXOAQYEC-UHFFFAOYSA-N
Mol Weight 190.16 g/mol
Molecular Formula C8H6N4O2
Exact Mass 190.049075 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KM0zKGEeMZ8
Name 2-(1H-Tetraazol-5-yl)benzoic acid
CAS Registry Number 13947-58-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N4O2
InChI InChI=1S/C8H6N4O2/c13-8(14)6-4-2-1-3-5(6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey QRKJBXMXOAQYEC-UHFFFAOYSA-N
Molecular Weight 190.162 g/mol
SMILES [nH]1c(-c2c(C(O)=O)cccc2)nnn1
SPLASH splash10-0ufr-9400000000-179482b59d6916657aa3
Synonyms 2-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid 2-(2H-tetrazol-5-yl)benzoic acid Benzoic acid, 2-(1H-tetrazol-5-yl)-
Wiley ID 1456198