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(2R,3S)-3-(1-Hydroxycyclohexyl)-3-(4-methoxyphenylsulfanyl)-2-methylpropan-1-ol
SpectraBase Compound ID J9f56XqL4TW
InChI InChI=1S/C17H26O3S/c1-13(12-18)16(17(19)10-4-3-5-11-17)21-15-8-6-14(20-2)7-9-15/h6-9,13,16,18-19H,3-5,10-12H2,1-2H3/t13-,16+/m1/s1
InChIKey SMJLPWHGHVMVGW-CJNGLKHVSA-N
Mol Weight 310.45 g/mol
Molecular Formula C17H26O3S
Exact Mass 310.160266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Mx89abwhy
Name (2R,3S)-3-(1-Hydroxycyclohexyl)-3-(4-methoxyphenylsulfanyl)-2-methylpropan-1-ol
Alternate Name(s) (2SR,3RS)-Methyl 3-(1-Hydroxycyclohexyl)-3-(4-methoxyphenylsulfanyl)-2-methylpropan-1-ol 1-{(1S,2R)-3-hydroxy-1-[(4-methoxyphenyl)sulfanyl]-2-methylpropyl}cyclohexanol 1-[(1S,2R)-3-hydroxy-1-[(4-methoxyphenyl)thio]-2-methylpropyl]-1-cyclohexanol 1-[(1S,2R)-3-hydroxy-1-(4-methoxyphenyl)sulfanyl-2-methylpropyl]cyclohexan-1-ol 1-[(1S,2R)-3-hydroxy-1-(4-methoxyphenyl)sulfanyl-2-methyl-propyl]cyclohexanol 1-[(1S,2R)-1-(4-methoxyphenyl)sulfanyl-2-methyl-3-oxidanyl-propyl]cyclohexan-1-ol
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Formula C17H26O3S
InChI InChI=1S/C17H26O3S/c1-13(12-18)16(17(19)10-4-3-5-11-17)21-15-8-6-14(20-2)7-9-15/h6-9,13,16,18-19H,3-5,10-12H2,1-2H3/t13-,16+/m1/s1
InChIKey SMJLPWHGHVMVGW-CJNGLKHVSA-N
Molecular Weight 310.452 g/mol
SMILES OC1([C@]([C@@](CO)(C)[H])(Sc2ccc(cc2)OC)[H])CCCCC1
SPLASH splash10-03dl-0690000000-8e263c0336beff42df34
Source of Spectrum KC-0-369-20
Wiley ID 785051