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(4S,5R,6S)-5-((tert-Butyldimethylsilyl)oxy)-4,6-dimethyloctan-3-one
SpectraBase Compound ID KY2KXcS9IhS
InChI InChI=1S/C16H34O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h12-13,15H,10-11H2,1-9H3/t12-,13+,15+/m0/s1
InChIKey QGIJFBRFMDSULL-GZBFAFLISA-N
Mol Weight 286.5 g/mol
Molecular Formula C16H34O2Si
Exact Mass 286.232807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8D7qDVg7WMD
Name (4S,5R,6S)-5-((tert-Butyldimethylsilyl)oxy)-4,6-dimethyloctan-3-one
Appearance Colourless oil
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Formula C16H34O2Si
InChI InChI=1S/C16H34O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h12-13,15H,10-11H2,1-9H3/t12-,13+,15+/m0/s1
InChIKey QGIJFBRFMDSULL-GZBFAFLISA-N
Instrument Name Agilent 7890A/Agilent 5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.9
Molecular Weight 286.531 g/mol
Optical Rotation [a]D 20 = +13.2 (c 0.36, ethanol)
SMILES CC[C@@]([C@]([C@@](C(CC)=O)(C)[H])(O[Si](C(C)(C)C)(C)C)[H])(C)[H]
SPLASH splash10-004l-6790000000-c2672073e3c97dcd99af
Source of Spectrum BJO-14-SM21-30b
Thin-Layer Chromatography Rf = 0.55 (hexane/ethyl acetate, 10:1)
Wiley ID 1843526