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1,3-benzothiazole-2-carboxylic acid methyl ester
SpectraBase Compound ID 4mpFrUNPsZu
InChI InChI=1S/C9H7NO2S/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChIKey NGYIWFTZUHRKSF-UHFFFAOYSA-N
Mol Weight 193.22 g/mol
Molecular Formula C9H7NO2S
Exact Mass 193.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AxMeeqMG1mv
Name 1,3-benzothiazole-2-carboxylic acid methyl ester
Alternate Name(s) Methyl 1,3-benzothiazole-2-carboxylate
CAS Registry Number 87802-07-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H7NO2S
InChI InChI=1S/C9H7NO2S/c1-12-9(11)8-10-6-4-2-3-5-7(6)13-8/h2-5H,1H3
InChIKey NGYIWFTZUHRKSF-UHFFFAOYSA-N
Molecular Weight 193.220 g/mol
SMILES c1(nc2ccccc2s1)C(=O)OC
SPLASH splash10-000i-0900000000-72918d99f1e01c93b0bb
Source of Spectrum Y-24-1684-4
Wiley ID 1189438