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Methyl 4-((4S,5R)-5-((E)-2-(1-((tert-butyldimethylsilyl)oxy)hexyl)styryl)-2,2-dimethyl-1,3-dioxolane-4-yl)butanoate
SpectraBase Compound ID IYu58LE6SnJ
InChI InChI=1S/C30H50O5Si/c1-10-11-12-18-25(35-36(8,9)29(2,3)4)24-17-14-13-16-23(24)21-22-27-26(33-30(5,6)34-27)19-15-20-28(31)32-7/h13-14,16-17,21-22,25-27H,10-12,15,18-20H2,1-9H3/b22-21+/t25?,26-,27+/m0/s1
InChIKey WBXDASOQKNRMES-RKMFYHOASA-N
Mol Weight 518.8 g/mol
Molecular Formula C30H50O5Si
Exact Mass 518.342751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Y2Km9PcGM6
Name Methyl 4-((4S,5R)-5-((E)-2-(1-((tert-butyldimethylsilyl)oxy)hexyl)styryl)-2,2-dimethyl-1,3-dioxolane-4-yl)butanoate
Appearance Yellow oil
Carrier Gas Hydrogen (30 ml/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.342751240 u
Formula C30H50O5Si
GC Column Macherey-Nagel-1-MS (30 m x 0.25 mm)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C30H50O5Si/c1-10-11-12-18-25(35-36(8,9)29(2,3)4)24-17-14-13-16-23(24)21-22-27-26(33-30(5,6)34-27)19-15-20-28(31)32-7/h13-14,16-17,21-22,25-27H,10-12,15,18-20H2,1-9H3/b22-21+/t25?,26-,27+/m0/s1
InChIKey WBXDASOQKNRMES-RKMFYHOASA-N
Instrument Name Agilent HP6890-5937N
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202201424
Molecular Weight 518.810 g/mol
Quality 231
SMILES C1(O[C@]([C@](O1)(\C=C\C1=C(C=CC=C1)C(CCCCC)O[Si](C(C)(C)C)(C)C)[H])(CCCC(OC)=O)[H])(C)C
SPLASH splash10-056u-7950100000-71a4aac2baec20afac8e
Source of Spectrum K1-26-SM13-ambo-32 (DOI: 10.1002/ejoc.202201424)
Thin-Layer Chromatography 0.58 (CyHex/EtOAc, 5:1)
Wiley ID 1910589