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methyl (5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-heptanoate(Autogenerated)
SpectraBase Compound ID 5AToCDSy1X2
InChI InChI=1S/C20H44O5Si2/c1-19(2,3)26(8,9)24-16(13-12-14-18(22)23-7)17(15-21)25-27(10,11)20(4,5)6/h16-17,21H,12-15H2,1-11H3/t16-,17+/m0/s1
InChIKey OBCLEAJFVVRXQA-DLBZAZTESA-N
Mol Weight 420.7 g/mol
Molecular Formula C20H44O5Si2
Exact Mass 420.272728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8IvHvQPrmg7
Name methyl (5S,6R)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-hydroxy-heptanoate(Autogenerated)
Carrier Gas Hydrogen (30 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 420.272727582 u
Formula C20H44O5Si2
GC Column Macherey-Nagel-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C20H44O5Si2/c1-19(2,3)26(8,9)24-16(13-12-14-18(22)23-7)17(15-21)25-27(10,11)20(4,5)6/h16-17,21H,12-15H2,1-11H3/t16-,17+/m0/s1
InChIKey OBCLEAJFVVRXQA-DLBZAZTESA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201424
Molecular Weight 420.737 g/mol
Optical Rotation [a]D20 = -5.26 (546 nm), -5.56 (579 nm), -4.00 (589 nm) (c = 0.45, CHCl3)
Quality 169
SMILES OC[C@]([C@@](O[Si](C(C)(C)C)(C)C)(CCCC(OC)=O)[H])(O[Si](C(C)(C)C)(C)C)[H]
SPLASH splash10-056s-6390000000-b3759576b0ee003a9414
Source of Spectrum K1-26-SM22-35 (DOI: 10.1002/ejoc.202201424)
Thin-Layer Chromatography 0.18 (CyHex/EtOAc, 10:1)
Wiley ID 1910582