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(1S,2S)-2-(4-Methylphenylthio)cyclohexanol

View entire compound with spectra: 1 MS (GC)

(1S,2S)-2-(4-Methylphenylthio)cyclohexanol
SpectraBase Compound ID 6vQ2stIbXV7
InChI InChI=1S/C13H18OS/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13-/m0/s1
InChIKey XRBUEAPYLGROPL-STQMWFEESA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGEyQuanlZb
Name (1S,2S)-2-(4-Methylphenylthio)cyclohexanol
Alternate Name(s) (1S,2S)-2-[(4-methylphenyl)sulfanyl]cyclohexanol (1S,2S)-2-[(4-methylphenyl)thio]-1-cyclohexanol (1S,2S)-2-(p-tolylsulfanyl)cyclohexanol (1S,2S)-2-(4-methylphenyl)sulfanylcyclohexan-1-ol
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Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-10-6-8-11(9-7-10)15-13-5-3-2-4-12(13)14/h6-9,12-14H,2-5H2,1H3/t12-,13-/m0/s1
InChIKey XRBUEAPYLGROPL-STQMWFEESA-N
Molecular Weight 222.346 g/mol
SMILES O[C@@]1([C@@](Sc2ccc(cc2)C)(CCCC1)[H])[H]
SPLASH splash10-00di-1390000000-17df29a84fc492c5c8fe
Source of Spectrum QC-9-3434-3
Wiley ID 870778