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(1S,2S)-2-(benzylsulfanyl)cyclohexanol
SpectraBase Compound ID FPuu8OUg5av
InChI InChI=1S/C13H18OS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey KFEUHCXDITWBNA-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 4QEzx8VBbU3
Name (1S,2S)-2-(benzylsulfanyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-3,6-7,12-14H,4-5,8-10H2/t12-,13-/m0/s1
InChIKey KFEUHCXDITWBNA-STQMWFEESA-N
Molecular Weight 222.346 g/mol
SMILES O[C@@]1([C@@](SCc2ccccc2)(CCCC1)[H])[H]
SPLASH splash10-006x-9360000000-1f09b257f5126b9142f9
Source of Spectrum QC-9-3435-3
Synonyms (1S,2S)-2-(benzylthio)cyclohexanol (1S,2S)-2-(Phenylmethylthio)cyclohexanol (1S,2S)-2-(phenylmethylsulfanyl)cyclohexan-1-ol (1S,2S)-2-(phenylmethylthio)-1-cyclohexanol (1S,2S)-2-benzylsulfanylcyclohexan-1-ol (1S,2S)-2-benzylsulfanylcyclohexanol
Wiley ID 870775