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1,2-Benzisothiazole-3-acetic acid, methyl ester

View entire compound with spectra: 1 MS (GC)

1,2-Benzisothiazole-3-acetic acid, methyl ester
SpectraBase Compound ID EiGkr0RrU6P
InChI InChI=1S/C10H9NO2S/c1-13-10(12)6-8-7-4-2-3-5-9(7)14-11-8/h2-5H,6H2,1H3
InChIKey WRZIEXYOQMHLNS-UHFFFAOYSA-N
Mol Weight 207.25 g/mol
Molecular Formula C10H9NO2S
Exact Mass 207.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 353M280ryPp
Name 1,2-Benzisothiazole-3-acetic acid, methyl ester
CAS Registry Number 29876-70-8
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H9NO2S
InChI InChI=1S/C10H9NO2S/c1-13-10(12)6-8-7-4-2-3-5-9(7)14-11-8/h2-5H,6H2,1H3
InChIKey WRZIEXYOQMHLNS-UHFFFAOYSA-N
Molecular Weight 207.247 g/mol
SMILES COC(Cc1c2ccccc2sn1)=O
SPLASH splash10-0592-2930000000-6c0c85b3ef87af3360a4
Source of Spectrum O-7-328-8
Synonyms Methyl 1,2-benzisothiazol-3-ylacetate 2-(1,2-benzothiazol-3-yl)acetic acid methyl ester Methyl 2-(1,2-benzothiazol-3-yl)acetate Methyl 2-(1,2-benzothiazol-3-yl)ethanoate
Wiley ID 1205575