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5,5"-Bis[5-bromo-3-hexoxymethylphenyl]-2,2':6',2"-terpyridine

View entire compound with spectra: 1 MS (GC)

5,5"-Bis[5-bromo-3-hexoxymethylphenyl]-2,2':6',2"-terpyridine
SpectraBase Compound ID runJWnq67w
InChI InChI=1S/C41H45Br2N3O2/c1-3-5-7-9-18-47-28-30-20-34(24-36(42)22-30)32-14-16-38(44-26-32)40-12-11-13-41(46-40)39-17-15-33(27-45-39)35-21-31(23-37(43)25-35)29-48-19-10-8-6-4-2/h11-17,20-27H,3-10,18-19,28-29H2,1-2H3
InChIKey AYZSNEWODWROJD-UHFFFAOYSA-N
Mol Weight 771.6 g/mol
Molecular Formula C41H45Br2N3O2
Exact Mass 769.187854 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IO6kWJPkvWu
Name 5,5"-Bis[5-bromo-3-hexoxymethylphenyl]-2,2':6',2"-terpyridine
Alternate Name(s) 2,6-bis(5-{3-bromo-5-[(hexyloxy)methyl]phenyl}pyridin-2-yl)pyridine 5,5''-Bis[5-bromo-3-hexoxymethylphenyl]-2,2':6',2''-terpyridine
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Formula C41H45Br2N3O2
InChI InChI=1S/C41H45Br2N3O2/c1-3-5-7-9-18-47-28-30-20-34(24-36(42)22-30)32-14-16-38(44-26-32)40-12-11-13-41(46-40)39-17-15-33(27-45-39)35-21-31(23-37(43)25-35)29-48-19-10-8-6-4-2/h11-17,20-27H,3-10,18-19,28-29H2,1-2H3
InChIKey AYZSNEWODWROJD-UHFFFAOYSA-N
Molecular Weight 771.638 g/mol
SMILES c1(nc(ccc1)-c1ncc(-c2cc(Br)cc(c2)COCCCCCC)cc1)-c1ncc(-c2cc(Br)cc(c2)COCCCCCC)cc1
SPLASH splash10-00di-0000229500-9ae056f51dbb92bc05d3
Source of Spectrum QE-5-858-12
Wiley ID 844169