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(4S,5S,6S)-5-((tert-Butyldimethylsilyl)oxy)-4,6-dimethyloctan-3-ol
SpectraBase Compound ID 4bh4kmsAvSG
InChI InChI=1S/C16H36O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h12-15,17H,10-11H2,1-9H3/t12-,13-,14?,15?/m0/s1
InChIKey KBDDTTJPZQFWRA-HESLUPGFSA-N
Mol Weight 288.5 g/mol
Molecular Formula C16H36O2Si
Exact Mass 288.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KoQdTyfSSm
Name (4S,5S,6S)-5-((tert-Butyldimethylsilyl)oxy)-4,6-dimethyloctan-3-ol
Appearance Colourless oil
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Formula C16H36O2Si
InChI InChI=1S/C16H36O2Si/c1-10-12(3)15(13(4)14(17)11-2)18-19(8,9)16(5,6)7/h12-15,17H,10-11H2,1-9H3/t12-,13-,14?,15?/m0/s1
InChIKey KBDDTTJPZQFWRA-HESLUPGFSA-N
Instrument Name Agilent 7890A/Agilent 5975C
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.14.9
Molecular Weight 288.547 g/mol
Optical Rotation [a]D 20 = +12.9 (c 0.1, ethanol)
SMILES OC([C@@](C([C@](CC)(C)[H])O[Si](C(C)(C)C)(C)C)(C)[H])CC
SPLASH splash10-00fr-7930000000-4d3423c0671589502205
Sample Comments dr = 55:45
Source of Spectrum BJO-14-SM17-29a
Thin-Layer Chromatography Rf = 0.21 (hexane/ethyl acetate, 20:1)
Wiley ID 1843523