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Benzenepropanoic acid, .alpha.-ethenyl-.beta.-oxo-.alpha.-(phenylthio)-, ethyl ester
SpectraBase Compound ID 54eFbzaDMCa
InChI InChI=1S/C19H18O3S/c1-3-19(18(21)22-4-2,23-16-13-9-6-10-14-16)17(20)15-11-7-5-8-12-15/h3,5-14H,1,4H2,2H3
InChIKey XLOQQBODGCTVDQ-UHFFFAOYSA-N
Mol Weight 326.41 g/mol
Molecular Formula C19H18O3S
Exact Mass 326.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7tXzt6qxqSF
Name Benzenepropanoic acid, .alpha.-ethenyl-.beta.-oxo-.alpha.-(phenylthio)-, ethyl ester
Alternate Name(s) Ethyl 2-benzoyl-2-(phenylsulfanyl)-3-butenoate Ethyl 2-benzoyl-2-phenylthiobut-3-enoate
CAS Registry Number 99683-09-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18O3S
InChI InChI=1S/C19H18O3S/c1-3-19(18(21)22-4-2,23-16-13-9-6-10-14-16)17(20)15-11-7-5-8-12-15/h3,5-14H,1,4H2,2H3
InChIKey XLOQQBODGCTVDQ-UHFFFAOYSA-N
Molecular Weight 326.410 g/mol
SMILES C(C(=O)c1ccccc1)(C(=O)OCC)(Sc1ccccc1)C=C
SPLASH splash10-00fr-0945000000-ed3e1ecdec657a293a75
Source of Spectrum KC-1986-1953-20
Wiley ID 1324826