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2-Bromo-5-{3'-hexyloxymethyl-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl]biphenyl-4-yl}pyridine

View entire compound with spectra: 1 MS (GC)

2-Bromo-5-{3'-hexyloxymethyl-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl]biphenyl-4-yl}pyridine
SpectraBase Compound ID FSRkW7HZvcB
InChI InChI=1S/C30H37BBrNO3/c1-6-7-8-9-16-34-21-22-17-26(19-27(18-22)31-35-29(2,3)30(4,5)36-31)24-12-10-23(11-13-24)25-14-15-28(32)33-20-25/h10-15,17-20H,6-9,16,21H2,1-5H3
InChIKey LSINMUISGSOECH-UHFFFAOYSA-N
Mol Weight 550.3 g/mol
Molecular Formula C30H37BBrNO3
Exact Mass 549.204987 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29nQYjP6SQz
Name 2-Bromo-5-{3'-hexyloxymethyl-5'-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl]biphenyl-4-yl}pyridine
Alternate Name(s) 2-Bromo-5-[3'-[(hexyloxy)methyl]-5'-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1'-biphenyl]-4-yl]pyridine [4'-(6-bromo-3-pyridinyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)[1,1'-biphenyl]-3-yl]methyl hexyl ether
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Formula C30H37BBrNO3
InChI InChI=1S/C30H37BBrNO3/c1-6-7-8-9-16-34-21-22-17-26(19-27(18-22)31-35-29(2,3)30(4,5)36-31)24-12-10-23(11-13-24)25-14-15-28(32)33-20-25/h10-15,17-20H,6-9,16,21H2,1-5H3
InChIKey LSINMUISGSOECH-UHFFFAOYSA-N
Molecular Weight 550.344 g/mol
SMILES C1(OB(OC1(C)C)c1cc(-c2ccc(-c3cnc(cc3)Br)cc2)cc(c1)COCCCCCC)(C)C
SPLASH splash10-03l3-0096600000-ed5659536cf7af5c15dc
Source of Spectrum SO-20-446-18
Wiley ID 877481