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(S)-4-((tert-butyldimethylsilyl)oxy)-4-((S)-4-methylcyclohex-3-en-1-yl) pentanal
SpectraBase Compound ID EUBATd9b3e0
InChI InChI=1S/C18H34O2Si/c1-15-9-11-16(12-10-15)18(5,13-8-14-19)20-21(6,7)17(2,3)4/h9,14,16H,8,10-13H2,1-7H3/t16-,18+/m1/s1
InChIKey JSEVCXWZCDQAGH-AEFFLSMTSA-N
Mol Weight 310.6 g/mol
Molecular Formula C18H34O2Si
Exact Mass 310.232807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9iocLUB0HR
Name (S)-4-((tert-butyldimethylsilyl)oxy)-4-((S)-4-methylcyclohex-3-en-1-yl) pentanal
Carrier Gas Helium (1.2 ml/min)
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Exact Mass 310.232806868 u
Formula C18H34O2Si
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/C18H34O2Si/c1-15-9-11-16(12-10-15)18(5,13-8-14-19)20-21(6,7)17(2,3)4/h9,14,16H,8,10-13H2,1-7H3/t16-,18+/m1/s1
InChIKey JSEVCXWZCDQAGH-AEFFLSMTSA-N
Instrument Name Agilent 7890B-5977A
Ionization Type EI
Literature Reference DOI 10.1002/chem.202100962
Molecular Weight 310.553 g/mol
Optical Rotation [a]D20 = -46.9 (c = 1.93, CH2Cl2)
Quality 253
Reported Formula C18H34O2Si
SMILES C1(=CC[C@](CC1)([C@](CCC=O)(O[Si](C(C)(C)C)(C)C)C)[H])C
SPLASH splash10-0a6r-6920000000-8ac375328d15ab4536cc
Source of Spectrum QE-27-SM136-S37 (DOI: 10.1002/chem.202100962)
Thin-Layer Chromatography 0.28 (cyclohexane/ethyl acetate, 30:1)
Wiley ID 1904045