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Thieno[3,2-d]isothiazole-5-carboxylic acid, 3-phenyl-
SpectraBase Compound ID ETUGfxa38VE
InChI InChI=1S/C12H7NO2S2/c14-11(15)9-6-8-10(13-17-12(8)16-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey KJMNEFSLIDXSFB-UHFFFAOYSA-N
Mol Weight 261.31 g/mol
Molecular Formula C12H7NO2S2
Exact Mass 260.991821 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbmsoiOY7no
Name Thieno[3,2-d]isothiazole-5-carboxylic acid, 3-phenyl-
CAS Registry Number 126938-77-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7NO2S2
InChI InChI=1S/C12H7NO2S2/c14-11(15)9-6-8-10(13-17-12(8)16-9)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey KJMNEFSLIDXSFB-UHFFFAOYSA-N
Molecular Weight 261.313 g/mol
SMILES OC(c1cc2c(s1)snc2-c1ccccc1)=O
SPLASH splash10-03di-2190000000-2cf76860538adf047108
Source of Spectrum B-42-1299-3
Synonyms 3-Phenylthieno[3,2-d]isothiazole-5-carboxylic acid
Wiley ID 1264575