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(2S,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)hexanethioic acid S-phenyl ester
SpectraBase Compound ID Juaut6zYohm
InChI InChI=1S/C19H22O2S2/c1-3-17(22-15-10-6-4-7-11-15)18(20)14(2)19(21)23-16-12-8-5-9-13-16/h4-14,17-18,20H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKey VUODXLFEOWIATO-QGTPRVQTSA-N
Mol Weight 346.5 g/mol
Molecular Formula C19H22O2S2
Exact Mass 346.106122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44zmYN7EjU5
Name (2S,3S,4R)-3-hydroxy-2-methyl-4-(phenylthio)hexanethioic acid S-phenyl ester
Alternate Name(s) S-phenyl (2S,3S,4R)-2-methyl-3-oxidanyl-4-phenylsulfanyl-hexanethioate S-phenyl (2S,3S,4R)-3-hydroxy-2-methyl-4-phenylsulfanylhexanethioate
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Formula C19H22O2S2
InChI InChI=1S/C19H22O2S2/c1-3-17(22-15-10-6-4-7-11-15)18(20)14(2)19(21)23-16-12-8-5-9-13-16/h4-14,17-18,20H,3H2,1-2H3/t14-,17+,18-/m0/s1
InChIKey VUODXLFEOWIATO-QGTPRVQTSA-N
Molecular Weight 346.503 g/mol
SMILES O[C@@]([C@@](C(Sc1ccccc1)=O)(C)[H])([C@](Sc1ccccc1)(CC)[H])[H]
SPLASH splash10-01q0-0950000000-56eee222f6a62c29aca7
Source of Spectrum KC-0-545-49
Wiley ID 830000