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benzoic acid, 4-(2H-tetrazol-5-yl)-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

benzoic acid, 4-(2H-tetrazol-5-yl)-
SpectraBase Compound ID 3YMRB6tXe9y
InChI InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey GEKBULKUEADYRB-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 4CUxHNEmcj6
Name 4-(2H-1,2,3,4-tetrazol-5-yl)benzoic acid
Alternate Name(s) 4-(2H-tetrazol-5-yl)benzoic acid Benzoic acid, 4-(2H-tetrazol-5-yl)-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6N4O2
InChI InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey GEKBULKUEADYRB-UHFFFAOYSA-N
Molecular Weight 190.162 g/mol
SMILES [nH]1nnc(-c2ccc(C(=O)O)cc2)n1
SPLASH splash10-03di-9700000000-cffcbc3dd35f0773ca16
Wiley ID 1440812