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Acetic acid, [[3-(4-chlorophenyl)-3-hydroxy-1-thioxo-2-propenyl]thio]-, ethyl ester, (Z)-
SpectraBase Compound ID AL5YcnAUQiK
InChI InChI=1S/C13H13ClO3S2/c1-2-17-12(16)8-19-13(18)7-11(15)9-3-5-10(14)6-4-9/h3-7,15H,2,8H2,1H3/b11-7-
InChIKey SNWYUTJGLQOZQR-XFFZJAGNSA-N
Mol Weight 316.82 g/mol
Molecular Formula C13H13ClO3S2
Exact Mass 315.999464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1a8Ut16CBKF
Name Acetic acid, [[3-(4-chlorophenyl)-3-hydroxy-1-thioxo-2-propenyl]thio]-, ethyl ester, (Z)-
CAS Registry Number 39580-26-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13ClO3S2
InChI InChI=1S/C13H13ClO3S2/c1-2-17-12(16)8-19-13(18)7-11(15)9-3-5-10(14)6-4-9/h3-7,15H,2,8H2,1H3/b11-7-
InChIKey SNWYUTJGLQOZQR-XFFZJAGNSA-N
Molecular Weight 316.817 g/mol
SMILES O\C(=C/C(=S)SCC(=O)OCC)c1ccc(cc1)Cl
SPLASH splash10-000i-2901000000-4fa62c72e084b5217a07
Source of Spectrum F-28-5350-8
Synonyms Ethyl 1-(p-chlorophenyl)3-thioxo-4-thia-1-hydroxyhexenoate Ethyl {[(2Z)-3-(4-chlorophenyl)-3-hydroxy-2-propenethioyl]sulfanyl}acetate
Wiley ID 1316367