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benzoic acid, 4-(1H-tetrazol-1-yl)-

View entire compound with spectra: 2 NMR, and 1 MS (GC)

benzoic acid, 4-(1H-tetrazol-1-yl)-
SpectraBase Compound ID EopkIGOSVal
InChI InChI=1S/C8H6N4O2/c13-8(14)6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChIKey DNFUQGMGGZFYPL-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 GmPLzGXxYCn
Name 4-(1H-1,2,3,4-tetrazol-1-yl)benzoic acid
Alternate Name(s) Benzoic acid, 4-(1H-1,2,3,4-tetrazol-1-yl)- 4-(1-tetrazolyl)benzoic acid 4-(1,2,3,4-tetrazol-1-yl)benzoic acid
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Formula C8H6N4O2
InChI InChI=1S/C8H6N4O2/c13-8(14)6-1-3-7(4-2-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChIKey DNFUQGMGGZFYPL-UHFFFAOYSA-N
Molecular Weight 190.162 g/mol
SMILES OC(c1ccc(-[n]2nnnc2)cc1)=O
SPLASH splash10-01ot-9300000000-a650340197ffafa6b5cb
Source of Spectrum IY-2-4930-6
Wiley ID 1657289