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(S)-4-((tert-butyldimethylsilyl)oxy)-4-((S)-4-methylcyclohex-3-en-1-yl) pentan-1-ol
SpectraBase Compound ID 9z6qLfXsK45
InChI InChI=1S/C18H36O2Si/c1-15-9-11-16(12-10-15)18(5,13-8-14-19)20-21(6,7)17(2,3)4/h9,16,19H,8,10-14H2,1-7H3/t16-,18+/m1/s1
InChIKey QDYDPAQVPDJJRW-AEFFLSMTSA-N
Mol Weight 312.6 g/mol
Molecular Formula C18H36O2Si
Exact Mass 312.248457 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F4xRfmMrcKK
Name (S)-4-((tert-butyldimethylsilyl)oxy)-4-((S)-4-methylcyclohex-3-en-1-yl) pentan-1-ol
Appearance Colorless oil
Carrier Gas Helium (1.2 ml/min)
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Exact Mass 312.248456932 u
Formula C18H36O2Si
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/C18H36O2Si/c1-15-9-11-16(12-10-15)18(5,13-8-14-19)20-21(6,7)17(2,3)4/h9,16,19H,8,10-14H2,1-7H3/t16-,18+/m1/s1
InChIKey QDYDPAQVPDJJRW-AEFFLSMTSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Optical Rotation [a]D20 = -51.48 (c = 0.27, CH2Cl2)
Quality 189
Reported Formula C18H36O2Si
SMILES OCCC[C@@]([C@@]1(CC=C(CC1)C)[H])(O[Si](C(C)(C)C)(C)C)C
SPLASH splash10-00p0-9510000000-a9f51758e1e17168caf9
Source of Spectrum QE-27-SM136-S38 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.38 (cyclohexane/ethyl acetate, 4:1)
Wiley ID 1904046