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4-(p-Bromophenyl)-3,5-bis{[4'-(triisopropylsilyl)ethynyl]biphenyl}-1-[4''-(t-butyl)phenyl]-benzene
SpectraBase Compound ID FXKfHOKWcYP
InChI InChI=1S/C68H77BrSi2/c1-46(2)70(47(3)4,48(5)6)42-40-52-16-20-54(21-17-52)56-24-28-59(29-25-56)65-44-62(58-32-36-63(37-33-58)68(13,14)15)45-66(67(65)61-34-38-64(69)39-35-61)60-30-26-57(27-31-60)55-22-18-53(19-23-55)41-43-71(49(7)8,50(9)10)51(11)12/h16-39,44-51H,1-15H3
InChIKey OZFLOPPUNOCUHL-UHFFFAOYSA-N
Mol Weight 1030.4 g/mol
Molecular Formula C68H77BrSi2
Exact Mass 1028.474719 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Exn7qQGzuxf
Name 4-(p-Bromophenyl)-3,5-bis{[4'-(triisopropylsilyl)ethynyl]biphenyl}-1-[4''-(t-butyl)phenyl]-benzene
Comments Less than 3 mono-isotopic peaks
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Formula C68H77BrSi2
InChI InChI=1S/C68H77BrSi2/c1-46(2)70(47(3)4,48(5)6)42-40-52-16-20-54(21-17-52)56-24-28-59(29-25-56)65-44-62(58-32-36-63(37-33-58)68(13,14)15)45-66(67(65)61-34-38-64(69)39-35-61)60-30-26-57(27-31-60)55-22-18-53(19-23-55)41-43-71(49(7)8,50(9)10)51(11)12/h16-39,44-51H,1-15H3
InChIKey OZFLOPPUNOCUHL-UHFFFAOYSA-N
Molecular Weight 1030.438 g/mol
SMILES c1(c(c(-c2ccc(cc2)-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc(c1)-c1ccc(C(C)(C)C)cc1)-c1ccc(Br)cc1)-c1ccc(-c2ccc(C#C[Si](C(C)C)(C(C)C)C(C)C)cc2)cc1
SPLASH splash10-00or-9000000500-18e3f4c6b7ab144dafcb
Source of Spectrum QE-15-2532-11
Wiley ID 1692676