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4-(1,2,3,4-tetrazol-1-ylmethyl)benzoic acid
SpectraBase Compound ID JE3AHTD4jhE
InChI InChI=1S/C9H8N4O2/c14-9(15)8-3-1-7(2-4-8)5-13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKey CYMQAEKQHNYLMH-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C9H8N4O2
Exact Mass 204.064726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Ur7Ckb6Jec
Name 4-(1,2,3,4-tetrazol-1-ylmethyl)benzoic acid
Alternate Name(s) 4-(1-tetrazolylmethyl)benzoic acid 4-(tetrazol-1-ylmethyl)benzoic acid Benzoic acid, 4-(tetrazol-1-yl)methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N4O2
InChI InChI=1S/C9H8N4O2/c14-9(15)8-3-1-7(2-4-8)5-13-6-10-11-12-13/h1-4,6H,5H2,(H,14,15)
InChIKey CYMQAEKQHNYLMH-UHFFFAOYSA-N
Molecular Weight 204.189 g/mol
SMILES OC(=O)c1ccc(cc1)C[n]1cnnn1
SPLASH splash10-052r-6900000000-61e1788ccb2d7d1ad53b
Wiley ID 1447978