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cis-3-tert-Butyl(diphenyl)silylcyclohexyl 4-methylbenzenesulfonate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

cis-3-tert-Butyl(diphenyl)silylcyclohexyl 4-methylbenzenesulfonate
SpectraBase Compound ID LOTsPevYGUw
InChI InChI=1S/C29H36O3SSi/c1-23-18-20-25(21-19-23)33(30,31)32-24-12-11-17-28(22-24)34(29(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-16,18-21,24,28H,11-12,17,22H2,1-4H3/t24-,28+/m1/s1
InChIKey ZDXJSJBHTCQWEV-YWEHKCAJSA-N
Mol Weight 492.7 g/mol
Molecular Formula C29H36O3SSi
Exact Mass 492.215443 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3GWcnH95w8K
Name cis-3-tert-Butyl(diphenyl)silylcyclohexyl 4-methylbenzenesulfonate
Alternate Name(s) 4-Methylbenzenesulfonic acid[(1R,3S)-3-[tert-butyl(diphenyl)silyl]cyclohexyl]ester [(1R,3S)-3-[tert-butyl(diphenyl)silyl]cyclohexyl]4-methylbenzenesulfonate [(1R,3S)-3-[tert-butyl(diphenyl)silyl]cyclohexyl] 4-methylbenzenesulfonate
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Formula C29H36O3SSi
InChI InChI=1S/C29H36O3SSi/c1-23-18-20-25(21-19-23)33(30,31)32-24-12-11-17-28(22-24)34(29(2,3)4,26-13-7-5-8-14-26)27-15-9-6-10-16-27/h5-10,13-16,18-21,24,28H,11-12,17,22H2,1-4H3/t24-,28+/m1/s1
InChIKey ZDXJSJBHTCQWEV-YWEHKCAJSA-N
Molecular Weight 492.749 g/mol
SMILES [C@@]1(OS(c2ccc(cc2)C)(=O)=O)(C[C@@]([Si](C(C)(C)C)(c2ccccc2)c2ccccc2)(CCC1)[H])[H]
SPLASH splash10-0uec-6529100000-81ca3ca9cfd202e9be60
Source of Spectrum KC-0-1531-0
Wiley ID 783917