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[1-[4-[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]butyl]benzyl]quinolin-1-ium-4-yl]amine dibromide
SpectraBase Compound ID HxrBHQMk8T3
InChI InChI=1S/C36H34N4.2BrH/c37-33-21-23-39(35-11-5-3-9-31(33)35)25-29-17-13-27(14-18-29)7-1-2-8-28-15-19-30(20-16-28)26-40-24-22-34(38)32-10-4-6-12-36(32)40;;/h3-6,9-24,37-38H,1-2,7-8,25-26H2;2*1H
InChIKey NDQYMOGZJUIQTA-UHFFFAOYSA-N
Mol Weight 684.52 g/mol
Molecular Formula C36H36Br2N4
Exact Mass 682.130673 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBwfNezkGNT
Name [1-[4-[4-[4-[(4-aminoquinolin-1-ium-1-yl)methyl]phenyl]butyl]benzyl]quinolin-1-ium-4-yl]amine dibromide
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36Br2N4
InChI InChI=1S/C36H34N4.2BrH/c37-33-21-23-39(35-11-5-3-9-31(33)35)25-29-17-13-27(14-18-29)7-1-2-8-28-15-19-30(20-16-28)26-40-24-22-34(38)32-10-4-6-12-36(32)40;;/h3-6,9-24,37-38H,1-2,7-8,25-26H2;2*1H
InChIKey NDQYMOGZJUIQTA-UHFFFAOYSA-N
Literature Reference Author J.C.ROSA,D.GALANAKIS,C.R.GANELLIN
Literature Reference Citation MAGN.RES.CHEM.,36,951(1998)
Literature Reference DOI 10.1002/(sici)1097-458x(199812)36:12<951::aid-omr395>3.0.co;2-f
Molecular Weight 684.517 g/mol
Solvent CD3OD
Source File Reference UWCS24843