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(6R,11R,12R,E)-12-(2-(benzyloxy)ethyl)-2,2,11,14,14,15,15-heptamethyl-8-oxo-3,3-diphenyl-4,13-dioxa-3,14-disilahexadec-9-en-6-yl benzoate
SpectraBase Compound ID KXyjlX3aeLX
InChI InChI=1S/C47H62O6Si2/c1-37(44(53-54(8,9)46(2,3)4)32-33-50-35-38-22-14-10-15-23-38)30-31-40(48)34-41(52-45(49)39-24-16-11-17-25-39)36-51-55(47(5,6)7,42-26-18-12-19-27-42)43-28-20-13-21-29-43/h10-31,37,41,44H,32-36H2,1-9H3/b31-30+/t37-,41-,44-/m1/s1
InChIKey ROAXPBPBDWMATI-AERMRTNVSA-N
Mol Weight 779.2 g/mol
Molecular Formula C47H62O6Si2
Exact Mass 778.408493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8u5LqVraCcJ
Name (6R,11R,12R,E)-12-(2-(benzyloxy)ethyl)-2,2,11,14,14,15,15-heptamethyl-8-oxo-3,3-diphenyl-4,13-dioxa-3,14-disilahexadec-9-en-6-yl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 778.408492780 u
Formula C47H62O6Si2
InChI InChI=1S/C47H62O6Si2/c1-37(44(53-54(8,9)46(2,3)4)32-33-50-35-38-22-14-10-15-23-38)30-31-40(48)34-41(52-45(49)39-24-16-11-17-25-39)36-51-55(47(5,6)7,42-26-18-12-19-27-42)43-28-20-13-21-29-43/h10-31,37,41,44H,32-36H2,1-9H3/b31-30+/t37-,41-,44-/m1/s1
InChIKey ROAXPBPBDWMATI-AERMRTNVSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201501491
Molecular Weight 779.177 g/mol
Optical Rotation [a]D20 = +16.4 (c = 0.97, CH2Cl2)
Quality 103
Reported Formula C47H62O6Si2
SMILES [C@](\C=C\C(=O)C[C@@](OC(C1=CC=CC=C1)=O)(CO[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1)[H])([C@](O[Si](C(C)(C)C)(C)C)(CCOCC1=CC=CC=C1)[H])(C)[H]
SPLASH splash10-00ec-4910000000-357fe700b4d9371b6c7d
Source of Spectrum QE-21-SM39-32b (DOI: 10.1002/chem.201501491)
Wiley ID 1906744