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[1-[3-[3-[(4-dimethylaminoquinolin-1-ium-1-yl)methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-dimethyl-amine dibromide
SpectraBase Compound ID BT5gAi0MGqf
InChI InChI=1S/C36H36N4.2BrH/c1-37(2)33-19-21-39(35-17-7-5-15-31(33)35)25-27-11-9-13-29(23-27)30-14-10-12-28(24-30)26-40-22-20-34(38(3)4)32-16-6-8-18-36(32)40;;/h5-24H,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKey LQXTVGZBLFXLRZ-UHFFFAOYSA-L
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 8SXJinJRr9S
Name [1-[3-[3-[(4-dimethylaminoquinolin-1-ium-1-yl)methyl]phenyl]benzyl]quinolin-1-ium-4-yl]-dimethyl-amine dibromide
Compound Number 2
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C36H36Br2N4
InChI InChI=1S/C36H36N4.2BrH/c1-37(2)33-19-21-39(35-17-7-5-15-31(33)35)25-27-11-9-13-29(23-27)30-14-10-12-28(24-30)26-40-22-20-34(38(3)4)32-16-6-8-18-36(32)40;;/h5-24H,25-26H2,1-4H3;2*1H/q+2;;/p-2
InChIKey LQXTVGZBLFXLRZ-UHFFFAOYSA-L
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 684.517 g/mol
Solvent DMSO-D6
Source File Reference UWLU36442