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Ethyl 3-((4aS,9bR)-7-((tert-butyldimethylsilyl)oxy)-2,2,4,4-tetramethyl-4a,9bdihydro-4H-[1,3]dioxino[5,4-b]benzofuran-8-yl)propiolate

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Ethyl 3-((4aS,9bR)-7-((tert-butyldimethylsilyl)oxy)-2,2,4,4-tetramethyl-4a,9bdihydro-4H-[1,3]dioxino[5,4-b]benzofuran-8-yl)propiolate
SpectraBase Compound ID 8BorjvifudS
InChI InChI=1S/C25H36O6Si/c1-11-27-20(26)13-12-16-14-17-19(15-18(16)30-32(9,10)23(2,3)4)28-22-21(17)29-25(7,8)31-24(22,5)6/h14-15,21-22H,11H2,1-10H3/t21-,22+/m1/s1
InChIKey HZFNEHUYMGOPEN-YADHBBJMSA-N
Mol Weight 460.6 g/mol
Molecular Formula C25H36O6Si
Exact Mass 460.228115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnRhnccSCmV
Name Ethyl 3-((4aS,9bR)-7-((tert-butyldimethylsilyl)oxy)-2,2,4,4-tetramethyl-4a,9bdihydro-4H-[1,3]dioxino[5,4-b]benzofuran-8-yl)propiolate
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H36O6Si
InChI InChI=1S/C25H36O6Si/c1-11-27-20(26)13-12-16-14-17-19(15-18(16)30-32(9,10)23(2,3)4)28-22-21(17)29-25(7,8)31-24(22,5)6/h14-15,21-22H,11H2,1-10H3/t21-,22+/m1/s1
InChIKey HZFNEHUYMGOPEN-YADHBBJMSA-N
Instrument Name Finnigan SSQ7000
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.8.123
Molecular Weight 460.642 g/mol
Optical Rotation [a]D23 = 16.0 (c = 0.8, CHCl3)
SMILES c1(c(cc2c(c1)[C@@]1([C@](O2)(C(OC(O1)(C)C)(C)C)[H])[H])O[Si](C(C)(C)C)(C)C)C#CC(=O)OCC
SPLASH splash10-0udi-0022900000-0cb249fb5aa1e6be9344
Source of Spectrum BJO-8-SM11-19
Thin-Layer Chromatography Rf = 0.39 (pentane/diethylether, 9:1)
Wiley ID 1864891