John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=Lm1GKyfKli8 SpectraBase Spectrum ID=10M8VgxiZtU

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[1-[3-[3-[(4-anilinoquinolin-1-ium-1-yl)methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
SpectraBase Compound ID Lm1GKyfKli8
InChI InChI=1S/C44H34N4.2BrH/c1-3-17-37(18-4-1)45-41-25-27-47(43-23-9-7-21-39(41)43)31-33-13-11-15-35(29-33)36-16-12-14-34(30-36)32-48-28-26-42(40-22-8-10-24-44(40)48)46-38-19-5-2-6-20-38;;/h1-30H,31-32H2;2*1H
InChIKey NMEJQPQWPYEKSR-UHFFFAOYSA-N
Mol Weight 780.608 g/mol
Molecular Formula C44H36Br2N4
Exact Mass 778.13067 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 10M8VgxiZtU
Name [1-[3-[3-[(4-anilinoquinolin-1-ium-1-yl)methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
Compound Number 4
Copyright Copyright © 2016-2020 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C44H36Br2N4
InChI InChI=1S/C44H34N4.2BrH/c1-3-17-37(18-4-1)45-41-25-27-47(43-23-9-7-21-39(41)43)31-33-13-11-15-35(29-33)36-16-12-14-34(30-36)32-48-28-26-42(40-22-8-10-24-44(40)48)46-38-19-5-2-6-20-38;;/h1-30H,31-32H2;2*1H
InChIKey NMEJQPQWPYEKSR-UHFFFAOYSA-N
Literature Reference Author J.M.CAMPOS,R.M.SANCHEZ-MARTIN,O.CRUZ-LOPEZ,A.CONEJO-GARCIA,M .A.GALLO,A.ESPINOSA
Literature Reference Citation MAGN.RES.CHEM.,43,1066(2005)
Literature Reference DOI 10.1002/mrc.1659
Molecular Weight 780.605 g/mol
Solvent DMSO-D6
Source File Reference UWLU36444
SpectraBase Batch ID Cm4HZfn3MCo