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2-[4'-Bromo-2,5-dihexyl-2'-hydroxymethylbiphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID CcOJLbf2Z1j
InChI InChI=1S/C31H46BBrO3/c1-7-9-11-13-15-23-21-29(32-35-30(3,4)31(5,6)36-32)24(16-14-12-10-8-2)20-28(23)27-18-17-26(33)19-25(27)22-34/h17-21,34H,7-16,22H2,1-6H3
InChIKey GENCXIXWKOEENA-UHFFFAOYSA-N
Mol Weight 557.4 g/mol
Molecular Formula C31H46BBrO3
Exact Mass 556.272339 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dd2kg8JolTO
Name 2-[4'-Bromo-2,5-dihexyl-2'-hydroxymethylbiphenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
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Formula C31H46BBrO3
InChI InChI=1S/C31H46BBrO3/c1-7-9-11-13-15-23-21-29(32-35-30(3,4)31(5,6)36-32)24(16-14-12-10-8-2)20-28(23)27-18-17-26(33)19-25(27)22-34/h17-21,34H,7-16,22H2,1-6H3
InChIKey GENCXIXWKOEENA-UHFFFAOYSA-N
Molecular Weight 557.420 g/mol
SMILES OCc1c(-c2cc(c(B3OC(C)(C)C(O3)(C)C)cc2CCCCCC)CCCCCC)ccc(Br)c1
SPLASH splash10-0a4r-0004290000-a7afcf9a0022c6ad9f13
Source of Spectrum SO-0-1302-11
Wiley ID 875014