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(2,6-dimethylphenyl) (2S,3R)-2-methyl-3-oxidanyl-3-(4-phenylsulfanylthian-4-yl)propanoate
SpectraBase Compound ID HmSRqefxnYJ
InChI InChI=1S/C23H28O3S2/c1-16-8-7-9-17(2)20(16)26-22(25)18(3)21(24)23(12-14-27-15-13-23)28-19-10-5-4-6-11-19/h4-11,18,21,24H,12-15H2,1-3H3/t18-,21+/m0/s1
InChIKey RLPIHOURBXKGRH-GHTZIAJQSA-N
Mol Weight 416.59 g/mol
Molecular Formula C23H28O3S2
Exact Mass 416.147987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn6ZOS1zzpq
Name (2,6-dimethylphenyl) (2S,3R)-2-methyl-3-oxidanyl-3-(4-phenylsulfanylthian-4-yl)propanoate
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Formula C23H28O3S2
InChI InChI=1S/C23H28O3S2/c1-16-8-7-9-17(2)20(16)26-22(25)18(3)21(24)23(12-14-27-15-13-23)28-19-10-5-4-6-11-19/h4-11,18,21,24H,12-15H2,1-3H3/t18-,21+/m0/s1
InChIKey RLPIHOURBXKGRH-GHTZIAJQSA-N
Molecular Weight 416.594 g/mol
SMILES O[C@@](C1(Sc2ccccc2)CCSCC1)([C@@](C(Oc1c(cccc1C)C)=O)(C)[H])[H]
SPLASH splash10-00di-0960200000-05a0363e2dcd5e363d21
Source of Spectrum KC-0-1908-21
Synonyms (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanyltetrahydrothiopyran-4-yl)propanoate (2,6-dimethylphenyl) (2S,3R)-3-hydroxy-2-methyl-3-(4-phenylsulfanylthian-4-yl)propanoate (2S,3R)-3-hydroxy-2-methyl-3-[4-(phenylthio)-4-thianyl]propanoic acid (2,6-dimethylphenyl) ester (2S,3R)-3-hydroxy-2-methyl-3-[4-(phenylthio)tetrahydrothiopyran-4-yl]propionic acid (2,6-dimethylphenyl) ester
Wiley ID 831156