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(1.alpha.)-2.beta.-[2.alpha.-(tert-Butyldimethylsiloxymethyl)-1-.beta.-methylcyclopentyl]-2.alpha.-methylcyclohexyl benzoate
SpectraBase Compound ID 5QZOuFwvl9K
InChI InChI=1S/C27H44O3Si/c1-25(2,3)31(6,7)29-20-22-16-13-19-26(22,4)27(5)18-12-11-17-23(27)30-24(28)21-14-9-8-10-15-21/h8-10,14-15,22-23H,11-13,16-20H2,1-7H3/t22-,23-,26-,27-/m0/s1
InChIKey CJLRUWZORGUHTP-ZCUSHOGSSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44O3Si
Exact Mass 444.305972 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4YjkXLEmrz9
Name (1.alpha.)-2.beta.-[2.alpha.-(tert-Butyldimethylsiloxymethyl)-1-.beta.-methylcyclopentyl]-2.alpha.-methylcyclohexyl benzoate
Alternate Name(s) (1S,2R)-2-[(1S,2R)-2-({[tert-butyl(dimethyl)silyl]oxy}methyl)-1-methylcyclopentyl]-2-methylcyclohexyl benzoate benzoic acid [(1S,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexyl] ester [(1S,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methylcyclopentyl]-2-methylcyclohexyl] benzoate [(1S,2R)-2-[(1S,2R)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-methyl-cyclopentyl]-2-methyl-cyclohexyl] benzoate
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Formula C27H44O3Si
InChI InChI=1S/C27H44O3Si/c1-25(2,3)31(6,7)29-20-22-16-13-19-26(22,4)27(5)18-12-11-17-23(27)30-24(28)21-14-9-8-10-15-21/h8-10,14-15,22-23H,11-13,16-20H2,1-7H3/t22-,23-,26-,27-/m0/s1
InChIKey CJLRUWZORGUHTP-ZCUSHOGSSA-N
Molecular Weight 444.731 g/mol
SMILES [C@]1([C@@]2([C@](CO[Si](C(C)(C)C)(C)C)(CCC2)[H])C)([C@@](OC(=O)c2ccccc2)(CCCC1)[H])C
SPLASH splash10-0a6r-0900000000-969d0c805866d313f3d1
Source of Spectrum KC-0-832-22
Wiley ID 785450