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1H-benzotriazole-1-acetic acid
SpectraBase Compound ID E15pNHM17wB
InChI InChI=1S/C8H7N3O2/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)
InChIKey QOXXZTPKJWPIDK-UHFFFAOYSA-N
Mol Weight 177.16 g/mol
Molecular Formula C8H7N3O2
Exact Mass 177.053826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32vnOBTqm8
Name 1-Benzotriazoleacetic acid
Alternate Name(s) 1H-1,2,3-benzotriazol-1-ylacetic acid 1H-Benzotriazole-1-acetic acid 2-(1-benzotriazolyl)acetic acid 2-(benzotriazol-1-yl)acetic acid 2-(benzotriazol-1-yl)ethanoic acid Benzotriazol-1-yl-acetic acid
CAS Registry Number 4144-64-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7N3O2
InChI InChI=1S/C8H7N3O2/c12-8(13)5-11-7-4-2-1-3-6(7)9-10-11/h1-4H,5H2,(H,12,13)
InChIKey QOXXZTPKJWPIDK-UHFFFAOYSA-N
Molecular Weight 177.163 g/mol
SMILES OC(=O)C[n]1nnc2c1cccc2
SPLASH splash10-004l-9200000000-22aba264d069f6376b6b
Wiley ID 1465590