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Ethyl 4-[3'-(methylthio)phenyl]-4-oxobutyrate
SpectraBase Compound ID GfHrBuqjtrV
InChI InChI=1S/C13H16O3S/c1-3-16-13(15)8-7-12(14)10-5-4-6-11(9-10)17-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey CIAOJZWHOYTQSN-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8mmvSn2vkUM
Name Ethyl 4-[3'-(methylthio)phenyl]-4-oxobutyrate
Alternate Name(s) Ethyl 4-[3-(methylsulfanyl)phenyl]-4-oxobutanoate 4-[3-(methylthio)phenyl]-4-oxobutanoic acid ethyl ester Ethyl 4-(3-methylsulfanylphenyl)-4-oxobutanoate Ethyl 4-(3-methylsulfanylphenyl)-4-oxo-butanoate Ethyl 4-(3-methylsulfanylphenyl)-4-oxidanylidene-butanoate
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Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-3-16-13(15)8-7-12(14)10-5-4-6-11(9-10)17-2/h4-6,9H,3,7-8H2,1-2H3
InChIKey CIAOJZWHOYTQSN-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C(c1cc(SC)ccc1)(=O)CCC(=O)OCC
SPLASH splash10-0udi-0930000000-7968e4a0d0e6230965a6
Source of Spectrum SK-28-3496-6
Wiley ID 880160