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3-Hydroxy-2-(methylthio)-5-phenyl-valeric acid methyl ester
SpectraBase Compound ID 8YQjtiNM5eS
InChI InChI=1S/C13H18O3S/c1-16-13(15)12(17-2)11(14)9-8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3
InChIKey LHZUIGMNPFIWFU-UHFFFAOYSA-N
Mol Weight 254.34 g/mol
Molecular Formula C13H18O3S
Exact Mass 254.097666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcykDwZ96pS
Name 3-Hydroxy-2-(methylthio)-5-phenyl-valeric acid methyl ester
Alternate Name(s) 3-Hydroxy-2-(methylthio)-5-phenylpentanoic acid methyl ester Methyl 2-methylsulfanyl-3-oxidanyl-5-phenyl-pentanoate Methyl 3-hydroxy-2-methylsulfanyl-5-phenyl-pentanoate Methyl 4,5-dideoxy-2-S-methyl-5-phenyl-2-thiopentonate Pentanoic acid, 3-hydroxy-2-(methylthio)-5-phenyl-, methyl ester
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Formula C13H18O3S
InChI InChI=1S/C13H18O3S/c1-16-13(15)12(17-2)11(14)9-8-10-6-4-3-5-7-10/h3-7,11-12,14H,8-9H2,1-2H3
InChIKey LHZUIGMNPFIWFU-UHFFFAOYSA-N
Molecular Weight 254.344 g/mol
SMILES OC(CCc1ccccc1)C(SC)C(OC)=O
SPLASH splash10-00di-9800000000-07ca82c8a360e2d661d6
Wiley ID 1477347