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4-((Tert-butyldimethylsilyl)oxy)-4-methyloctan-2-one
SpectraBase Compound ID 6pLRnGZOARc
InChI InChI=1S/C15H32O2Si/c1-9-10-11-15(6,12-13(2)16)17-18(7,8)14(3,4)5/h9-12H2,1-8H3
InChIKey QHAIGQHTCOYFRD-UHFFFAOYSA-N
Mol Weight 272.5 g/mol
Molecular Formula C15H32O2Si
Exact Mass 272.217157 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2o2lP0qsrlA
Name 4-((Tert-butyldimethylsilyl)oxy)-4-methyloctan-2-one
Carrier Gas Hydrogen (30 ml/min, 1.2 bar)
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Exact Mass 272.217156803 u
Formula C15H32O2Si
GC Column Optima-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C15H32O2Si/c1-9-10-11-15(6,12-13(2)16)17-18(7,8)14(3,4)5/h9-12H2,1-8H3
InChIKey QHAIGQHTCOYFRD-UHFFFAOYSA-N
Instrument Name Agilent HP6890-5937 N
Ionization Type EI
Literature Reference DOI 10.1002/chem.202004843
Molecular Weight 272.504 g/mol
Optical Rotation [a]D20 = 23.79 (589nm) (c = 0.325/100ml, CH3Cl)
Quality 174
SMILES C(CCC(CC(C)=O)(C)O[Si](C(C)(C)C)(C)C)C
SPLASH splash10-0ar0-9510000000-060b5ea1ea25d2a69c43
Sample Comments 85% ee
Source of Spectrum QE-27-SM51-30 (DOI: 10.1002/chem.202004843)
Thin-Layer Chromatography 0.63 (SiO2, cHex/EtOAc, 10:1)
Wiley ID 1902008