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[1'S,1S,2S]1-[1'-(Ethoxycarbonyl)ethyl]-2-(p-tolylsulfenyl)cyclohexanol
SpectraBase Compound ID J9LFjY9GKDi
InChI InChI=1S/C18H26O3S/c1-4-21-17(19)14(3)18(20)12-6-5-7-16(18)22-15-10-8-13(2)9-11-15/h8-11,14,16,20H,4-7,12H2,1-3H3/t14-,16+,18+/m1/s1
InChIKey SGIVABZCPZQEBI-HFTRVMKXSA-N
Mol Weight 322.46 g/mol
Molecular Formula C18H26O3S
Exact Mass 322.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wGhZmhfpZb
Name [1'S,1S,2S]1-[1'-(Ethoxycarbonyl)ethyl]-2-(p-tolylsulfenyl)cyclohexanol
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Formula C18H26O3S
InChI InChI=1S/C18H26O3S/c1-4-21-17(19)14(3)18(20)12-6-5-7-16(18)22-15-10-8-13(2)9-11-15/h8-11,14,16,20H,4-7,12H2,1-3H3/t14-,16+,18+/m1/s1
InChIKey SGIVABZCPZQEBI-HFTRVMKXSA-N
Molecular Weight 322.463 g/mol
SMILES O[C@@]1([C@@](C(=O)OCC)(C)[H])[C@@](Sc2ccc(cc2)C)(CCCC1)[H]
SPLASH splash10-00di-5914000000-061a28d088cbb30bf8d7
Source of Spectrum J-61-9469-14
Synonyms Ethyl (2S)-2-{(1S,2S)-1-hydroxy-2-[(4-methylphenyl)sulfanyl]cyclohexyl}propanoate (2S)-2-[(1S,2S)-1-hydroxy-2-[(4-methylphenyl)thio]cyclohexyl]propanoic acid ethyl ester Ethyl (2S)-2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfanylcyclohexyl]propanoate Ethyl (2S)-2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfanyl)cyclohexyl]propanoate Ethyl (2S)-2-[(1S,2S)-2-(4-methylphenyl)sulfanyl-1-oxidanyl-cyclohexyl]propanoate
Wiley ID 1321693