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Acetic acid, [(4-cyano-3-phenyl-5-isothiazolyl)thio]-, ethyl ester
SpectraBase Compound ID GV8RgAPXpky
InChI InChI=1S/C14H12N2O2S2/c1-2-18-12(17)9-19-14-11(8-15)13(16-20-14)10-6-4-3-5-7-10/h3-7H,2,9H2,1H3
InChIKey FXOAMBBDXAXVTR-UHFFFAOYSA-N
Mol Weight 304.38 g/mol
Molecular Formula C14H12N2O2S2
Exact Mass 304.03402 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 815YVcdhJ2f
Name Acetic acid, [(4-cyano-3-phenyl-5-isothiazolyl)thio]-, ethyl ester
CAS Registry Number 126938-67-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12N2O2S2
InChI InChI=1S/C14H12N2O2S2/c1-2-18-12(17)9-19-14-11(8-15)13(16-20-14)10-6-4-3-5-7-10/h3-7H,2,9H2,1H3
InChIKey FXOAMBBDXAXVTR-UHFFFAOYSA-N
Molecular Weight 304.382 g/mol
SMILES c1(c(nsc1SCC(=O)OCC)-c1ccccc1)C#N
SPLASH splash10-0ue9-3898000000-e24baef5dc8a367b7f55
Source of Spectrum B-42-1298-2
Synonyms Ethyl 2-(4-cyano-3-phenylisothiazol-5-ylthio)acetate Ethyl[(4-cyano-3-phenyl-5-isothiazolyl)sulfanyl]acetate
Wiley ID 1306100