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Benzenepropanoic acid, .alpha.-[2-(phenylthio)ethylidene]-, ethyl ester, (E)-
SpectraBase Compound ID 4VkeHIKNtG6
InChI InChI=1S/C19H20O2S/c1-2-21-19(20)17(15-16-9-5-3-6-10-16)13-14-22-18-11-7-4-8-12-18/h3-13H,2,14-15H2,1H3/b17-13+
InChIKey AVWUCFKGZBPGFV-GHRIWEEISA-N
Mol Weight 312.43 g/mol
Molecular Formula C19H20O2S
Exact Mass 312.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QeVzHAbZmS
Name Benzenepropanoic acid, .alpha.-[2-(phenylthio)ethylidene]-, ethyl ester, (E)-
Alternate Name(s) Ethyl (2E)-2-benzyl-4-(phenylsulfanyl)-2-butenoate Ethyl 2-benzyl-4-phenylthiobut-2-enoate
CAS Registry Number 86895-85-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O2S
InChI InChI=1S/C19H20O2S/c1-2-21-19(20)17(15-16-9-5-3-6-10-16)13-14-22-18-11-7-4-8-12-18/h3-13H,2,14-15H2,1H3/b17-13+
InChIKey AVWUCFKGZBPGFV-GHRIWEEISA-N
Molecular Weight 312.427 g/mol
SMILES C(\C(Cc1ccccc1)=C\CSc1ccccc1)(=O)OCC
SPLASH splash10-0w4i-0972000000-0872b9c75a10977b623f
Source of Spectrum KC-1986-1954-27
Wiley ID 1313469