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3,5-Diphenylisothiazole-4-carboxylic acid

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3,5-Diphenylisothiazole-4-carboxylic acid
SpectraBase Compound ID GLKp192cmIt
InChI InChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)17-20-15(13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKey OIMBLINQWPYYAH-UHFFFAOYSA-N
Mol Weight 281.33 g/mol
Molecular Formula C16H11NO2S
Exact Mass 281.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VFqegtsABn
Name 3,5-Diphenyl-isothiazole-4-carboxylic acid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11NO2S
InChI InChI=1S/C16H11NO2S/c18-16(19)13-14(11-7-3-1-4-8-11)17-20-15(13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKey OIMBLINQWPYYAH-UHFFFAOYSA-N
Molecular Weight 281.329 g/mol
SMILES OC(c1c(snc1-c1ccccc1)-c1ccccc1)=O
SPLASH splash10-001i-3390000000-6afce51741f99b5edff6
Source of Spectrum F5-5-1389-28
Synonyms 3,5-Diphenylisothiazole-4-carboxylic acid 3,5-Diphenyl-4-isothiazolecarboxylic acid 3,5-Diphenyl-1,2-thiazole-4-carboxylic acid
Wiley ID 1733199