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(E)-3-methoxy-2-[2-(phenylthio)phenyl]-2-propenoic acid methyl ester
SpectraBase Compound ID KT5yiPmAr2a
InChI InChI=1S/C17H16O3S/c1-19-12-15(17(18)20-2)14-10-6-7-11-16(14)21-13-8-4-3-5-9-13/h3-12H,1-2H3/b15-12+
InChIKey OQWQUNQSOMMNCB-NTCAYCPXSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72mECl0rTa8
Name (E)-3-methoxy-2-[2-(phenylthio)phenyl]-2-propenoic acid methyl ester
Alternate Name(s) (E)-3-methoxy-2-[2-(phenylthio)phenyl]acrylic acid methyl ester Methyl (E)-3-methoxy-2-(2-phenylsulfanylphenyl)prop-2-enoate
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Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-19-12-15(17(18)20-2)14-10-6-7-11-16(14)21-13-8-4-3-5-9-13/h3-12H,1-2H3/b15-12+
InChIKey OQWQUNQSOMMNCB-NTCAYCPXSA-N
Molecular Weight 300.372 g/mol
SMILES c1(\C(C(=O)OC)=C/OC)c(Sc2ccccc2)cccc1
SPLASH splash10-004i-0900000000-8bf42c35fb1d30d8a496
Source of Spectrum F-54-7610-18
Wiley ID 807473