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(6R,8R,11R,12R,E)-12-(2-(Benzyloxy)ethyl)-8-((tert-butyldiphenylsilyl)oxy)-14,14-diethyl-2,2,11-trimethyl-3,3-diphenyl-4,13-dioxa-3,14-disilahexadec-9-en-6-yl isobutyrate
SpectraBase Compound ID d5IskxSCJ2
InChI InChI=1S/C60H84O6Si3/c1-13-67(14-2,15-3)66-57(43-44-62-46-50-31-21-16-22-32-50)49(6)41-42-51(65-69(60(10,11)12,55-37-27-19-28-38-55)56-39-29-20-30-40-56)45-52(64-58(61)48(4)5)47-63-68(59(7,8)9,53-33-23-17-24-34-53)54-35-25-18-26-36-54/h16-42,48-49,51-52,57H,13-15,43-47H2,1-12H3/b42-41+/t49-,51+,52-,57-/m1/s1
InChIKey QEMHPLOJNKAFOZ-KVSBVELBSA-N
Mol Weight 985.6 g/mol
Molecular Formula C60H84O6Si3
Exact Mass 984.55757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HsjZ0gvDKmu
Name (6R,8R,11R,12R,E)-12-(2-(Benzyloxy)ethyl)-8-((tert-butyldiphenylsilyl)oxy)-14,14-diethyl-2,2,11-trimethyl-3,3-diphenyl-4,13-dioxa-3,14-disilahexadec-9-en-6-yl isobutyrate
Appearance Colorless syrup
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 984.557570024 u
Formula C60H84O6Si3
InChI InChI=1S/C60H84O6Si3/c1-13-67(14-2,15-3)66-57(43-44-62-46-50-31-21-16-22-32-50)49(6)41-42-51(65-69(60(10,11)12,55-37-27-19-28-38-55)56-39-29-20-30-40-56)45-52(64-58(61)48(4)5)47-63-68(59(7,8)9,53-33-23-17-24-34-53)54-35-25-18-26-36-54/h16-42,48-49,51-52,57H,13-15,43-47H2,1-12H3/b42-41+/t49-,51+,52-,57-/m1/s1
InChIKey QEMHPLOJNKAFOZ-KVSBVELBSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 985.581 g/mol
Optical Rotation [a]D20 = +36.7 (c = 1.00, CH2Cl2)
Quality 95
Reported Formula C60H84O6Si3
SMILES [C@](\C=C\[C@](O[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)(C[C@@](OC(C(C)C)=O)(CO[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[H])[H])([C@](O[Si](CC)(CC)CC)(CCOCC1=CC=CC=C1)[H])(C)[H]
SPLASH splash10-00gi-3960000000-ce0b818faf0ea13be567
Source of Spectrum QE-21-SM44-42a (DOI: 10.1002/chem.201501491)
Wiley ID 1906747