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Ethyl 2-[(m,p-Dichloro-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate
SpectraBase Compound ID LoIOxT9ULgE
InChI InChI=1S/C19H18Cl2O4S/c1-3-25-19(23)18(26-13-7-5-4-6-8-13)14-11-16(21)15(20)9-12(14)10-17(22)24-2/h4-9,11,18H,3,10H2,1-2H3
InChIKey PPYOONKJLSKPIN-UHFFFAOYSA-N
Mol Weight 413.32 g/mol
Molecular Formula C19H18Cl2O4S
Exact Mass 412.030286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JA5sl6bMIeL
Name Ethyl 2-[(m,p-Dichloro-o-methoxycarbonylmethyl)phenyl]-2-(phenylthio)acetate
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Formula C19H18Cl2O4S
InChI InChI=1S/C19H18Cl2O4S/c1-3-25-19(23)18(26-13-7-5-4-6-8-13)14-11-16(21)15(20)9-12(14)10-17(22)24-2/h4-9,11,18H,3,10H2,1-2H3
InChIKey PPYOONKJLSKPIN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol703058p
Molecular Weight 413.315 g/mol
SMILES c1(c(cc(c(CC(OC)=O)c1)C(Sc1ccccc1)C(=O)OCC)Cl)Cl
SPLASH splash10-05s0-3459200000-820e863284a667edae77
Source of Spectrum A1-10-693/SMS3-5d
Synonyms Ethyl 2-(4,5-dichloro-2-(2-methoxy-2-oxoethyl)phenyl)-2-(phenylthio)acetate
Wiley ID 1759151