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(5S,6R)-Methyl 5,6-bis((tert-butyldimethylsilyl)oxy)oct-7-enoate
SpectraBase Compound ID FWDWnmW4mej
InChI InChI=1S/C21H44O4Si2/c1-13-17(24-26(9,10)20(2,3)4)18(15-14-16-19(22)23-8)25-27(11,12)21(5,6)7/h13,17-18H,1,14-16H2,2-12H3/t17-,18+/m1/s1
InChIKey QYBXZOVETTYPRB-MSOLQXFVSA-N
Mol Weight 416.7 g/mol
Molecular Formula C21H44O4Si2
Exact Mass 416.277813 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 88WDMt94uhh
Name (5S,6R)-Methyl 5,6-bis((tert-butyldimethylsilyl)oxy)oct-7-enoate
Appearance Colorless oil
Carrier Gas Hydrogen (30 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 416.277812963 u
Formula C21H44O4Si2
GC Column Macherey-Nagel-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C21H44O4Si2/c1-13-17(24-26(9,10)20(2,3)4)18(15-14-16-19(22)23-8)25-27(11,12)21(5,6)7/h13,17-18H,1,14-16H2,2-12H3/t17-,18+/m1/s1
InChIKey QYBXZOVETTYPRB-MSOLQXFVSA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201424
Molecular Weight 416.749 g/mol
Optical Rotation [a]D20 = -11.4 (436 nm), -6.19 (546 nm), -5.59 (579 nm), -5.59 (589 nm) (c = 0.50, CHCl3)
Quality 206
SMILES C([C@]([C@@](O[Si](C(C)(C)C)(C)C)(CCCC(OC)=O)[H])(O[Si](C(C)(C)C)(C)C)[H])=C
SPLASH splash10-006w-9520000000-896e1d2d46010d9a6ef4
Source of Spectrum K1-26-SM24-18 (DOI: 10.1002/ejoc.202201424)
Thin-Layer Chromatography 0.74 (CyHex/EtOAc, 5:1)
Wiley ID 1910577