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(S)-6-((tert-butyldimethylsilyl)oxy)-6-((S)-4-methylcyclohex-3-en-1-yl) heptan-2-one
SpectraBase Compound ID Adp77AGnnIl
InChI InChI=1S/C20H38O2Si/c1-16-11-13-18(14-12-16)20(6,15-9-10-17(2)21)22-23(7,8)19(3,4)5/h11,18H,9-10,12-15H2,1-8H3/t18-,20+/m1/s1
InChIKey PBNVBLXHWPRUQK-QUCCMNQESA-N
Mol Weight 338.6 g/mol
Molecular Formula C20H38O2Si
Exact Mass 338.264107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGpewul139x
Name (S)-6-((tert-butyldimethylsilyl)oxy)-6-((S)-4-methylcyclohex-3-en-1-yl) heptan-2-one
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
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Exact Mass 338.264106997 u
Formula C20H38O2Si
GC Column HP5-MS UI (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C20H38O2Si/c1-16-11-13-18(14-12-16)20(6,15-9-10-17(2)21)22-23(7,8)19(3,4)5/h11,18H,9-10,12-15H2,1-8H3/t18-,20+/m1/s1
InChIKey PBNVBLXHWPRUQK-QUCCMNQESA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 338.607 g/mol
Optical Rotation [a]D20 = -36.94 (c = 0.36, CH2Cl2)
Quality 268
Reported Formula C20H38O2Si
SMILES C1(=CC[C@](CC1)([C@](CCCC(C)=O)(O[Si](C(C)(C)C)(C)C)C)[H])C
SPLASH splash10-002g-9830000000-c62795921f4a84534574
Source of Spectrum QE-27-SM137-S41 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.46 (cyclohexane/ethyl acetate, 10:1)
Wiley ID 1904048