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(1SR,2RS,4SR)-(4-tert-Butyl-2-methyl-2-phenylthiocyclohexyl) toluene-p-sulfonate
SpectraBase Compound ID znWrR5Ag6n
InChI InChI=1S/C24H32O3S2/c1-18-11-14-21(15-12-18)29(25,26)27-22-16-13-19(23(2,3)4)17-24(22,5)28-20-9-7-6-8-10-20/h6-12,14-15,19,22H,13,16-17H2,1-5H3
InChIKey MLHJXZMYFBHAOF-UHFFFAOYSA-N
Mol Weight 432.6 g/mol
Molecular Formula C24H32O3S2
Exact Mass 432.179287 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JephYjuWWxE
Name (1SR,2RS,4SR)-(4-tert-Butyl-2-methyl-2-phenylthiocyclohexyl) toluene-p-sulfonate
Alternate Name(s) (1RS,2SR,4SR)-(4-tert-Butyl-2-methyl-2-phenylthiocyclohexyl) toluene-p-sulfonate 4-tert-Butyl-2-methyl-2-(phenylsulfanyl)cyclohexyl 4-methylbenzenesulfonate
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Formula C24H32O3S2
InChI InChI=1S/C24H32O3S2/c1-18-11-14-21(15-12-18)29(25,26)27-22-16-13-19(23(2,3)4)17-24(22,5)28-20-9-7-6-8-10-20/h6-12,14-15,19,22H,13,16-17H2,1-5H3
InChIKey MLHJXZMYFBHAOF-UHFFFAOYSA-N
Molecular Weight 432.637 g/mol
SMILES C1(OS(c2ccc(cc2)C)(=O)=O)C(Sc2ccccc2)(CC(CC1)C(C)(C)C)C
SPLASH splash10-0pb9-0900000000-6f3d268033c001b42fcb
Source of Spectrum KC-1992-3012-56
Wiley ID 777238