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1-[(2-Hydroxy-3,3-dimethyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
SpectraBase Compound ID EMX5QeXYqYB
InChI InChI=1S/C18H28O2S/c1-17(2,3)15(19)16(18(20)12-8-5-9-13-18)21-14-10-6-4-7-11-14/h4,6-7,10-11,15-16,19-20H,5,8-9,12-13H2,1-3H3
InChIKey SJZHXAWSWCVFCB-UHFFFAOYSA-N
Mol Weight 308.48 g/mol
Molecular Formula C18H28O2S
Exact Mass 308.181001 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHuP4poAQ79
Name 1-[(2-Hydroxy-3,3-dimethyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
Alternate Name(s) 1-(2-hydroxy-3,3-dimethyl-1-phenylsulfanylbutyl)cyclohexan-1-ol 1-[2-hydroxy-3,3-dimethyl-1-(phenylthio)butyl]-1-cyclohexanol 1-(3,3-dimethyl-2-oxidanyl-1-phenylsulfanyl-butyl)cyclohexan-1-ol 1-[2-hydroxy-3,3-dimethyl-1-(phenylthio)butyl]cyclohexanol 1-(2-hydroxy-3,3-dimethyl-1-phenylsulfanyl-butyl)cyclohexanol
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Formula C18H28O2S
InChI InChI=1S/C18H28O2S/c1-17(2,3)15(19)16(18(20)12-8-5-9-13-18)21-14-10-6-4-7-11-14/h4,6-7,10-11,15-16,19-20H,5,8-9,12-13H2,1-3H3
InChIKey SJZHXAWSWCVFCB-UHFFFAOYSA-N
Molecular Weight 308.480 g/mol
SMILES OC(C(C1(O)CCCCC1)Sc1ccccc1)C(C)(C)C
SPLASH splash10-0006-9500000000-d8a942aa2efedf0071d5
Source of Spectrum KC-57-4419-8
Wiley ID 1624169