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Malonic acid, 2-hydroxy-2-(4-ethylthiophenyl)-, dimethyl ester
SpectraBase Compound ID KVjowrOBaYQ
InChI InChI=1S/C13H16O5S/c1-4-19-10-7-5-9(6-8-10)13(16,11(14)17-2)12(15)18-3/h5-8,16H,4H2,1-3H3
InChIKey LDLSSVKWMZSWTF-UHFFFAOYSA-N
Mol Weight 284.33 g/mol
Molecular Formula C13H16O5S
Exact Mass 284.071845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CYzZ5wltts
Name Malonic acid, 2-hydroxy-2-(4-ethylthiophenyl)-, dimethyl ester
Alternate Name(s) 2-[4-(ethylthio)phenyl]-2-hydroxy-malonic acid dimethyl ester 2-[4-(ethylthio)phenyl]-2-hydroxypropanedioic acid dimethyl ester Dimethyl 2-(4-ethylsulfanylphenyl)-2-hydroxy-propanedioate Dimethyl 2-(4-ethylsulfanylphenyl)-2-oxidanyl-propanedioate Dimethyl 2-[4-(ethylsulfanyl)phenyl]-2-hydroxymalonate
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Formula C13H16O5S
InChI InChI=1S/C13H16O5S/c1-4-19-10-7-5-9(6-8-10)13(16,11(14)17-2)12(15)18-3/h5-8,16H,4H2,1-3H3
InChIKey LDLSSVKWMZSWTF-UHFFFAOYSA-N
Molecular Weight 284.326 g/mol
SMILES OC(c1ccc(SCC)cc1)(C(=O)OC)C(=O)OC
SPLASH splash10-014i-2940000000-e3fc025f26c6c33a6946
Wiley ID 1496779