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4-Phenylthio-3-hydroxy-1-hydroxymethylcyclohexane
SpectraBase Compound ID GHjZ2WKUP6E
InChI InChI=1S/C13H18O2S/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9H2
InChIKey QDDJOFNTSUOVLR-UHFFFAOYSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RhEnvVBtG
Name 4-Phenylthio-3-hydroxy-1-hydroxymethylcyclohexane
Alternate Name(s) 5-(hydroxymethyl)-2-(phenylsulfanyl)cyclohexanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c14-9-10-6-7-13(12(15)8-10)16-11-4-2-1-3-5-11/h1-5,10,12-15H,6-9H2
InChIKey QDDJOFNTSUOVLR-UHFFFAOYSA-N
Molecular Weight 238.345 g/mol
SMILES OCC1CCC(C(C1)O)Sc1ccccc1
SPLASH splash10-03di-0920000000-f2b42ed1fe8e861ed82c
Source of Spectrum C-101-3891-0
Wiley ID 1240430