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5,5'-Bis[3-bromo-5-(tetrahydropyran-2-yloxymethyl)phenyl]-2,2'-bipyridyl
SpectraBase Compound ID 4HzvWv0IDZ
InChI InChI=1S/C34H34Br2N2O4/c35-29-15-23(21-41-33-5-1-3-11-39-33)13-27(17-29)25-7-9-31(37-19-25)32-10-8-26(20-38-32)28-14-24(16-30(36)18-28)22-42-34-6-2-4-12-40-34/h7-10,13-20,33-34H,1-6,11-12,21-22H2
InChIKey WQIQVJQLJIFUNH-UHFFFAOYSA-N
Mol Weight 694.5 g/mol
Molecular Formula C34H34Br2N2O4
Exact Mass 692.088534 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dB6LSE0pg4
Name 5,5'-Bis[3-bromo-5-(tetrahydropyran-2-yloxymethyl)phenyl]-2,2'-bipyridyl
Alternate Name(s) 5-{3-bromo-5-[(oxan-2-yloxy)methyl]phenyl}-2-(5-{3-bromo-5-[(oxan-2-yloxy)methyl]phenyl}pyridin-2-yl)pyridine
Comments Less than 3 mono-isotopic peaks
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Formula C34H34Br2N2O4
InChI InChI=1S/C34H34Br2N2O4/c35-29-15-23(21-41-33-5-1-3-11-39-33)13-27(17-29)25-7-9-31(37-19-25)32-10-8-26(20-38-32)28-14-24(16-30(36)18-28)22-42-34-6-2-4-12-40-34/h7-10,13-20,33-34H,1-6,11-12,21-22H2
InChIKey WQIQVJQLJIFUNH-UHFFFAOYSA-N
Molecular Weight 694.464 g/mol
SMILES c1(ncc(cc1)-c1cc(Br)cc(c1)COC1OCCCC1)-c1ncc(-c2cc(Br)cc(c2)COC2OCCCC2)cc1
SPLASH splash10-0006-0000095000-086f5900ee441bdfb8a1
Source of Spectrum SO-0-686-8
Wiley ID 876609