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1-[(2-Hydroxy-3-methyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
SpectraBase Compound ID 6JPnQGhK5oy
InChI InChI=1S/C17H26O2S/c1-13(2)15(18)16(17(19)11-7-4-8-12-17)20-14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16,18-19H,4,7-8,11-12H2,1-2H3
InChIKey JJRFZJQABPLEFH-UHFFFAOYSA-N
Mol Weight 294.45 g/mol
Molecular Formula C17H26O2S
Exact Mass 294.165351 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IF59ZIIKfty
Name 1-[(2-Hydroxy-3-methyl-1-phenylsulfanyl)butyl]cyclohexanol isomer
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Formula C17H26O2S
InChI InChI=1S/C17H26O2S/c1-13(2)15(18)16(17(19)11-7-4-8-12-17)20-14-9-5-3-6-10-14/h3,5-6,9-10,13,15-16,18-19H,4,7-8,11-12H2,1-2H3
InChIKey JJRFZJQABPLEFH-UHFFFAOYSA-N
Molecular Weight 294.453 g/mol
SMILES OC(C(C1(O)CCCCC1)Sc1ccccc1)C(C)C
SPLASH splash10-01tc-9500000000-38dbdd6844a2425add04
Source of Spectrum KC-57-4418-8
Synonyms 1-(2-hydroxy-3-methyl-1-phenylsulfanylbutyl)cyclohexan-1-ol 1-[2-hydroxy-3-methyl-1-(phenylthio)butyl]-1-cyclohexanol 1-(3-Methyl-2-oxidanyl-1-phenylsulfanyl-butyl)cyclohexan-1-ol 1-[2-hydroxy-3-methyl-1-(phenylthio)butyl]cyclohexanol 1-(2-hydroxy-3-methyl-1-phenylsulfanyl-butyl)cyclohexanol
Wiley ID 1624172