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Methyl-4-(methylsulfanyl)-2-(phenylamino)-butanoate
SpectraBase Compound ID Ldu4e4dPHQT
InChI InChI=1S/C12H17NO2S/c1-15-12(14)11(8-9-16-2)13-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey JRBJHKSVRDOKKM-UHFFFAOYSA-N
Mol Weight 239.33 g/mol
Molecular Formula C12H17NO2S
Exact Mass 239.098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FCP2076UgTX
Name Methyl-4-(methylsulfanyl)-2-(phenylamino)-butanoate
Alternate Name(s) 2-Anilino-4-(methylthio)butanoic acid methyl ester Methyl 2-anilino-4-methylsulfanylbutanoate Methyl 2-anilino-4-methylsulfanyl-butanoate Methyl 4-methylsulfanyl-2-phenylazanyl-butanoate
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Formula C12H17NO2S
InChI InChI=1S/C12H17NO2S/c1-15-12(14)11(8-9-16-2)13-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3
InChIKey JRBJHKSVRDOKKM-UHFFFAOYSA-N
Molecular Weight 239.333 g/mol
SMILES N(C(C(=O)OC)CCSC)c1ccccc1
SPLASH splash10-01q9-7910000000-b8c1155de2eb5f55d852
Source of Spectrum CRT-11-797-fig.2D/cpd.7
Wiley ID 1709718