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3-[(p-Toluenenesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
SpectraBase Compound ID GuXKxmGlW6e
InChI InChI=1S/C17H12N2O3S2/c1-12-7-9-14(10-8-12)24(20,21)22-17-15(11-18)16(23-19-17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey CVKQUVRIHLQUCQ-UHFFFAOYSA-N
Mol Weight 356.41 g/mol
Molecular Formula C17H12N2O3S2
Exact Mass 356.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A1Zhupp8HJ
Name 3-[(p-Toluenenesulfonyl)oxy]-5-phenylisothiazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12N2O3S2
InChI InChI=1S/C17H12N2O3S2/c1-12-7-9-14(10-8-12)24(20,21)22-17-15(11-18)16(23-19-17)13-5-3-2-4-6-13/h2-10H,1H3
InChIKey CVKQUVRIHLQUCQ-UHFFFAOYSA-N
Molecular Weight 356.414 g/mol
SMILES c1(OS(c2ccc(cc2)C)(=O)=O)c(c(-c2ccccc2)sn1)C#N
SPLASH splash10-0006-9410000000-b9b482149ed542c588bf
Source of Spectrum F5-4-3689-24
Synonyms 4-Cyano-5-phenylisothiazol-3-yl 4-methylbenzenesulfonate 4-Methylbenzenesulfonic acid (4-cyano-5-phenyl-3-isothiazolyl) ester (4-cyano-5-phenyl-isothiazol-3-yl) 4-methylbenzenesulfonate (4-cyano-5-phenyl-1,2-thiazol-3-yl) 4-methylbenzenesulfonate
Wiley ID 1733009