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2',5'-Dihexyl-4'-(trimethylsilyl)biphenyl-2-boonic acid
SpectraBase Compound ID BCyKcpkeLZp
InChI InChI=1S/C81H123B3O3Si3/c1-16-22-28-34-46-64-61-79(88(7,8)9)67(49-37-31-25-19-4)58-73(64)70-52-40-43-55-76(70)82-85-83(77-56-44-41-53-71(77)74-59-68(50-38-32-26-20-5)80(89(10,11)12)62-65(74)47-35-29-23-17-2)87-84(86-82)78-57-45-42-54-72(78)75-60-69(51-39-33-27-21-6)81(90(13,14)15)63-66(75)48-36-30-24-18-3/h40-45,52-63H,16-39,46-51H2,1-15H3
InChIKey NEBDHBBADFGHHZ-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 Hm54KZkZS6S
Name 2',5'-Dihexyl-4'-(trimethylsilyl)biphenyl-2-boonic acid
Comments Less than 3 mono-isotopic peaks
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Formula C81H123B3O3Si3
InChI InChI=1S/C81H123B3O3Si3/c1-16-22-28-34-46-64-61-79(88(7,8)9)67(49-37-31-25-19-4)58-73(64)70-52-40-43-55-76(70)82-85-83(77-56-44-41-53-71(77)74-59-68(50-38-32-26-20-5)80(89(10,11)12)62-65(74)47-35-29-23-17-2)87-84(86-82)78-57-45-42-54-72(78)75-60-69(51-39-33-27-21-6)81(90(13,14)15)63-66(75)48-36-30-24-18-3/h40-45,52-63H,16-39,46-51H2,1-15H3
InChIKey NEBDHBBADFGHHZ-UHFFFAOYSA-N
Molecular Weight 1261.557 g/mol
SMILES c1(B2OB(OB(O2)c2c(-c3cc(CCCCCC)c(cc3CCCCCC)[Si](C)(C)C)cccc2)c2c(-c3cc(CCCCCC)c(cc3CCCCCC)[Si](C)(C)C)cccc2)c(-c2cc(CCCCCC)c(cc2CCCCCC)[Si](C)(C)C)cccc1
SPLASH splash10-03k9-0090500000-89c249c511a599ba4399
Source of Spectrum U-1997-307-6
Wiley ID 769307