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Cyclohexanecarboxylic acid, 3-(dimethylphenylsilyl)-4-methyl-5-oxo-, methyl ester, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
SpectraBase Compound ID AR1WtXrM2Ay
InChI InChI=1S/C17H24O3Si/c1-12-15(18)10-13(17(19)20-2)11-16(12)21(3,4)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3/t12-,13+,16-/m1/s1
InChIKey HFWNYUDOOPPJHT-DVOMOZLQSA-N
Mol Weight 304.46 g/mol
Molecular Formula C17H24O3Si
Exact Mass 304.149471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fswGY0haZz
Name Cyclohexanecarboxylic acid, 3-(dimethylphenylsilyl)-4-methyl-5-oxo-, methyl ester, (1.alpha.,3.beta.,4.alpha.)-(.+-.)-
Alternate Name(s) methyl (1S,3R,4R)-3-[dimethyl(phenyl)silyl]-4-methyl-5-oxocyclohexanecarboxylate Methyl 3-dimethylphenylsilyl-4-methyl-5-oxocyclohexane-carboxylate
CAS Registry Number 80256-16-2
Comments Less than 3 mono-isotopic peaks
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Formula C17H24O3Si
InChI InChI=1S/C17H24O3Si/c1-12-15(18)10-13(17(19)20-2)11-16(12)21(3,4)14-8-6-5-7-9-14/h5-9,12-13,16H,10-11H2,1-4H3/t12-,13+,16-/m1/s1
InChIKey HFWNYUDOOPPJHT-DVOMOZLQSA-N
Molecular Weight 304.461 g/mol
SMILES [C@]1([C@@](C(=O)C[C@@](C1)(C(=O)OC)[H])(C)[H])([Si](c1ccccc1)(C)C)[H]
SPLASH splash10-000i-0900000000-1a825b392ea0c7e35840
Source of Spectrum KC-1981-2524-0
Wiley ID 1306510