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(2R,5S)-2-((tert-Butyldimethylsilyl)oxy)-5-isopropyl-2-methylcyclohexan-1-one
SpectraBase Compound ID AbaoUyzUFe1
InChI InChI=1S/C16H32O2Si/c1-12(2)13-9-10-16(6,14(17)11-13)18-19(7,8)15(3,4)5/h12-13H,9-11H2,1-8H3/t13-,16+/m0/s1
InChIKey DJJMMMVENAISGY-XJKSGUPXSA-N
Mol Weight 284.5 g/mol
Molecular Formula C16H32O2Si
Exact Mass 284.217157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BHU5m3NkfmI
Name (2R,5S)-2-((tert-Butyldimethylsilyl)oxy)-5-isopropyl-2-methylcyclohexan-1-one
Appearance Colorless oil
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Formula C16H32O2Si
InChI InChI=1S/C16H32O2Si/c1-12(2)13-9-10-16(6,14(17)11-13)18-19(7,8)15(3,4)5/h12-13H,9-11H2,1-8H3/t13-,16+/m0/s1
InChIKey DJJMMMVENAISGY-XJKSGUPXSA-N
Instrument Name Agilent 6890 and Finnigan MAT 95 XL
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.222
Molecular Weight 284.515 g/mol
Optical Rotation [a]D24 = -56.8 (c = 2.4, CHCl3)
Reported Formula C16H32O2Si
SMILES C1[C@@](C(C[C@](C1)(C(C)C)[H])=O)(C)O[Si](C(C)(C)C)(C)C
SPLASH splash10-004i-7590000000-21a098c629d45b13a903
Source of Spectrum BJO-14-SM9-21
Thin-Layer Chromatography Rf = 0.44 (petroleum ether/EtOAc, 20:1)
Wiley ID 1845723