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(5R,6R,11R)-5-(2-(Benzyloxy)ethyl)-2,2,3,3,6,15,15-heptamethyl-14,14-diphenyl-11-((triethylsilyl)oxy)-4,13-dioxa-3,14-disilahexadec-8-yn-7-yl acetate
SpectraBase Compound ID AGjkeQvHUMN
InChI InChI=1S/C48H74O6Si3/c1-14-56(15-2,16-3)53-42(38-51-57(48(9,10)11,43-30-22-18-23-31-43)44-32-24-19-25-33-44)29-26-34-45(52-40(5)49)39(4)46(54-55(12,13)47(6,7)8)35-36-50-37-41-27-20-17-21-28-41/h17-25,27-28,30-33,39,42,45-46H,14-16,29,35-38H2,1-13H3/t39-,42-,45?,46-/m1/s1
InChIKey SSGJDJZFUQNZNT-HTWYBFLRSA-N
Mol Weight 831.4 g/mol
Molecular Formula C48H74O6Si3
Exact Mass 830.47932 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2IW4cScaK8Y
Name (5R,6R,11R)-5-(2-(Benzyloxy)ethyl)-2,2,3,3,6,15,15-heptamethyl-14,14-diphenyl-11-((triethylsilyl)oxy)-4,13-dioxa-3,14-disilahexadec-8-yn-7-yl acetate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 830.479319702 u
Formula C48H74O6Si3
InChI InChI=1S/C48H74O6Si3/c1-14-56(15-2,16-3)53-42(38-51-57(48(9,10)11,43-30-22-18-23-31-43)44-32-24-19-25-33-44)29-26-34-45(52-40(5)49)39(4)46(54-55(12,13)47(6,7)8)35-36-50-37-41-27-20-17-21-28-41/h17-25,27-28,30-33,39,42,45-46H,14-16,29,35-38H2,1-13H3/t39-,42-,45?,46-/m1/s1
InChIKey SSGJDJZFUQNZNT-HTWYBFLRSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 831.369 g/mol
Quality 104
Reported Formula C48H74O6Si3
SMILES [C@](O[Si](CC)(CC)CC)(CC#CC([C@]([C@](O[Si](C(C)(C)C)(C)C)(CCOCC1=CC=CC=C1)[H])(C)[H])OC(C)=O)(CO[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[H]
SPLASH splash10-00du-3930000000-2671b265786ee8167c81
Sample Comments dr = 2.9:1
Source of Spectrum QE-21-SM36-31a (DOI: 10.1002/chem.201501491)
Wiley ID 1906742