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Methyl [4R, (S)R]-4-Hydroxy-5-(p-tolylsulfinyl)pentanoate
SpectraBase Compound ID H3NgEyLUdy3
InChI InChI=1S/C13H18O4S/c1-10-3-6-12(7-4-10)18(16)9-11(14)5-8-13(15)17-2/h3-4,6-7,11,14H,5,8-9H2,1-2H3/t11-,18?/m1/s1
InChIKey HMJOHHBIZCWNGJ-SSJGJQFISA-N
Mol Weight 270.34 g/mol
Molecular Formula C13H18O4S
Exact Mass 270.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CAVF1eJJSwr
Name Methyl [4R, (S)R]-4-Hydroxy-5-(p-tolylsulfinyl)pentanoate
Alternate Name(s) Methyl (4R)-4-hydroxy-5-[(4-methylphenyl)sulfinyl]pentanoate Methyl[4R, (S)R]-4-Hydroxy-5-(p-tolylsulfonyl)pentanoate
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Formula C13H18O4S
InChI InChI=1S/C13H18O4S/c1-10-3-6-12(7-4-10)18(16)9-11(14)5-8-13(15)17-2/h3-4,6-7,11,14H,5,8-9H2,1-2H3/t11-,18?/m1/s1
InChIKey HMJOHHBIZCWNGJ-SSJGJQFISA-N
Molecular Weight 270.343 g/mol
SMILES O[C@@](C[S@](c1ccc(cc1)C)=O)(CCC(=O)OC)[H]
SPLASH splash10-000i-5910000000-b0d412baedcc860ec928
Source of Spectrum F-68-7785-7
Wiley ID 1573424