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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 8j25Ct83by3
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
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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
Literature Reference DOI 10.1002/anie.201400605
Molecular Weight 985.581 g/mol
SMILES C([Si](O[C@](CCOCc1ccccc1)([C@@](\C=C\[C@@](C[C@](CO[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)(OC(=O)C(C)C)[H])(O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1)[H])(C)[H])[H])(CC)CC)C
SPLASH splash10-00gi-3960000000-ce0b818faf0ea13be567
Source of Spectrum ACI-53-SM23-25a
Wiley ID 1782342