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[(4R,5S)-9,9-dimethoxy-5-[(4-methoxyphenyl)methyl]-1,1,4-trimethyl-non-2-ynoxy]-triisopropyl-silane
SpectraBase Compound ID AVfYO7JZrkp
InChI InChI=1S/C31H54O5Si/c1-23(2)37(24(3)4,25(5)6)36-31(8,9)21-20-26(7)29(14-13-15-30(33-11)34-12)35-22-27-16-18-28(32-10)19-17-27/h16-19,23-26,29-30H,13-15,22H2,1-12H3/t26-,29+/m0/s1
InChIKey YDJZQRXQNFXUHI-LITSAYRRSA-N
Mol Weight 534.9 g/mol
Molecular Formula C31H54O5Si
Exact Mass 534.374051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AnQYN3cBk7r
Name [(4R,5S)-9,9-dimethoxy-5-[(4-methoxyphenyl)methyl]-1,1,4-trimethyl-non-2-ynoxy]-triisopropyl-silane
Appearance Colorless oil
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Formula C31H54O5Si
InChI InChI=1S/C31H54O5Si/c1-23(2)37(24(3)4,25(5)6)36-31(8,9)21-20-26(7)29(14-13-15-30(33-11)34-12)35-22-27-16-18-28(32-10)19-17-27/h16-19,23-26,29-30H,13-15,22H2,1-12H3/t26-,29+/m0/s1
InChIKey YDJZQRXQNFXUHI-LITSAYRRSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/anie.202011472
Molecular Weight 534.853 g/mol
Optical Rotation [a]D20 = +9.4 (c = 1.08, CHCl3)
Reported Formula C31H54O5Si
SMILES C(OC)(OC)CCC[C@]([C@](C#CC(O[Si](C(C)C)(C(C)C)C(C)C)(C)C)(C)[H])(OCc1ccc(cc1)OC)[H]
SPLASH splash10-00di-0900000000-89993887065c7c8bf8cf
Sample Comments 98% ee
Source of Spectrum ACI-60-SM6-PMB-ether, S2
Wiley ID 1880192