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1,2-Benzisothiazole-3-carboxylic acid
SpectraBase Compound ID 62IyuwQjnBU
InChI InChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
InChIKey KTORKRBAIRTBCP-UHFFFAOYSA-N
Mol Weight 179.19 g/mol
Molecular Formula C8H5NO2S
Exact Mass 179.0041 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KheEtCCmzHR
Name 1,2-Benzisothiazole-3-carboxylic acid
Alternate Name(s) 1,2-benzothiazole-3-carboxylic acid 3-Benzisothiazolecarboxylic acid Acido 3-benzisotiazolcarbossilic BRN 0136252
CAS Registry Number 40991-34-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H5NO2S
InChI InChI=1S/C8H5NO2S/c10-8(11)7-5-3-1-2-4-6(5)12-9-7/h1-4H,(H,10,11)
InChIKey KTORKRBAIRTBCP-UHFFFAOYSA-N
Molecular Weight 179.193 g/mol
SMILES OC(c1nsc2c1cccc2)=O
SPLASH splash10-000f-9700000000-f7d7da52d2291bee6817
Source of Spectrum O7-0-327-0
Wiley ID 1175032