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[1S,2S]1-[(Ethoxycarbonyl)methyl]-2-(p-tolylsulfenyl)cyclohexanol
SpectraBase Compound ID JIzd1A2B9HM
InChI InChI=1S/C17H24O3S/c1-3-20-16(18)12-17(19)11-5-4-6-15(17)21-14-9-7-13(2)8-10-14/h7-10,15,19H,3-6,11-12H2,1-2H3/t15-,17-/m0/s1
InChIKey OPWCCGPZFHTUPB-RDJZCZTQSA-N
Mol Weight 308.44 g/mol
Molecular Formula C17H24O3S
Exact Mass 308.144616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DzQ8cpXHYOW
Name [1S,2S]1-[(Ethoxycarbonyl)methyl]-2-(p-tolylsulfenyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24O3S
InChI InChI=1S/C17H24O3S/c1-3-20-16(18)12-17(19)11-5-4-6-15(17)21-14-9-7-13(2)8-10-14/h7-10,15,19H,3-6,11-12H2,1-2H3/t15-,17-/m0/s1
InChIKey OPWCCGPZFHTUPB-RDJZCZTQSA-N
Molecular Weight 308.436 g/mol
SMILES O[C@@]1(CC(=O)OCC)[C@@](Sc2ccc(cc2)C)(CCCC1)[H]
SPLASH splash10-0603-4913000000-36f55388b7f948c68be1
Source of Spectrum J-61-9469-6
Synonyms Ethyl {(1S,2S)-1-hydroxy-2-[(4-methylphenyl)sulfanyl]cyclohexyl}acetate 2-[(1S,2S)-1-hydroxy-2-[(4-methylphenyl)thio]cyclohexyl]acetic acid ethyl ester Ethyl 2-[(1S,2S)-1-hydroxy-2-(4-methylphenyl)sulfanylcyclohexyl]acetate Ethyl 2-[(1S,2S)-1-hydroxy-2-(p-tolylsulfanyl)cyclohexyl]acetate Ethyl 2-[(1S,2S)-2-(4-methylphenyl)sulfanyl-1-oxidanyl-cyclohexyl]ethanoate
Wiley ID 1309765