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1H-1,2,3-Triazole-4-carboxylic acid, 1-benzo[b]thien-2-yl-, methyl ester
SpectraBase Compound ID KbX7BF9iiGZ
InChI InChI=1S/C12H9N3O2S/c1-17-12(16)9-7-15(14-13-9)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
InChIKey LHQZNRGLJUAECW-UHFFFAOYSA-N
Mol Weight 259.28 g/mol
Molecular Formula C12H9N3O2S
Exact Mass 259.041548 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GEGyVH65Fx7
Name 1H-1,2,3-Triazole-4-carboxylic acid, 1-benzo[b]thien-2-yl-, methyl ester
Alternate Name(s) Methyl 1-(1-benzothien-2-yl)-1H-1,2,3-triazole-4-carboxylate Methyl 1-(2-benxo[b]thienyl)-1H-1,2,3-triazole-4-carboxylate
CAS Registry Number 132681-60-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H9N3O2S
InChI InChI=1S/C12H9N3O2S/c1-17-12(16)9-7-15(14-13-9)11-6-8-4-2-3-5-10(8)18-11/h2-7H,1H3
InChIKey LHQZNRGLJUAECW-UHFFFAOYSA-N
Molecular Weight 259.283 g/mol
SMILES c1(-[n]2nnc(c2)C(=O)OC)sc2ccccc2c1
SPLASH splash10-00e9-0790000000-7480afb241a3cc657caf
Source of Spectrum KC-1990-2977-14
Wiley ID 1262534