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2',5'-dihexyl-4'-(trimethylsilyl)biphenyl-3-boronic acid
SpectraBase Compound ID HmuyKYKMc6s
InChI InChI=1S/C81H123B3O3Si3/c1-16-22-28-34-43-67-61-79(88(7,8)9)70(46-37-31-25-19-4)58-76(67)64-49-40-52-73(55-64)82-85-83(74-53-41-50-65(56-74)77-59-71(47-38-32-26-20-5)80(89(10,11)12)62-68(77)44-35-29-23-17-2)87-84(86-82)75-54-42-51-66(57-75)78-60-72(48-39-33-27-21-6)81(90(13,14)15)63-69(78)45-36-30-24-18-3/h40-42,49-63H,16-39,43-48H2,1-15H3
InChIKey WFWYDXOBRCRZMC-UHFFFAOYSA-N
Mol Weight 1261.6 g/mol
Molecular Formula C81H123B3O3Si3
Exact Mass 1260.905918 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID cbjh3yKo8d
Name 2',5'-dihexyl-4'-(trimethylsilyl)biphenyl-3-boronic acid
Comments Less than 3 mono-isotopic peaks
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Formula C81H123B3O3Si3
InChI InChI=1S/C81H123B3O3Si3/c1-16-22-28-34-43-67-61-79(88(7,8)9)70(46-37-31-25-19-4)58-76(67)64-49-40-52-73(55-64)82-85-83(74-53-41-50-65(56-74)77-59-71(47-38-32-26-20-5)80(89(10,11)12)62-68(77)44-35-29-23-17-2)87-84(86-82)75-54-42-51-66(57-75)78-60-72(48-39-33-27-21-6)81(90(13,14)15)63-69(78)45-36-30-24-18-3/h40-42,49-63H,16-39,43-48H2,1-15H3
InChIKey WFWYDXOBRCRZMC-UHFFFAOYSA-N
Molecular Weight 1261.557 g/mol
SMILES c1(cc(CCCCCC)c(cc1CCCCCC)[Si](C)(C)C)-c1cc(B2OB(c3cc(-c4cc(CCCCCC)c(cc4CCCCCC)[Si](C)(C)C)ccc3)OB(c3cc(-c4cc(CCCCCC)c(cc4CCCCCC)[Si](C)(C)C)ccc3)O2)ccc1
SPLASH splash10-0229-9060000000-aa129e76c3712c004a81
Source of Spectrum U-1997-307-5
Synonyms (4-{3-[bis({3-[2,5-dihexyl-4-(trimethylsilyl)phenyl]phenyl})-1,3,5,2,4,6-trioxatriborinan-2-yl]phenyl}-2,5-dihexylphenyl)trimethylsilane trimer of 2',5'-dihexyl-4'-(trimethylsilyl)biphenyl-3-boronic acid
Wiley ID 769309