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methyl-[1-[4-[2-[4-[[4-(methyl-phenyl-amino)quinolin-1-ium-1-yl]methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide

View entire compound with spectra: 1 NMR

methyl-[1-[4-[2-[4-[[4-(methyl-phenyl-amino)quinolin-1-ium-1-yl]methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
SpectraBase Compound ID 5qkuJfxXFDk
InChI InChI=1S/C48H44N4.2BrH/c1-49(41-13-5-3-6-14-41)45-31-33-51(47-19-11-9-17-43(45)47)35-39-27-23-37(24-28-39)21-22-38-25-29-40(30-26-38)36-52-34-32-46(44-18-10-12-20-48(44)52)50(2)42-15-7-4-8-16-42;;/h3-20,23-34H,21-22,35-36H2,1-2H3;2*1H/q+2;;/p-2
InChIKey YMNIXLWGKJJRJR-UHFFFAOYSA-L
Mol Weight 836.716 g/mol
Molecular Formula C48H44Br2N4
Exact Mass 834.193273 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5naeNWGQJr7
Name methyl-[1-[4-[2-[4-[[4-(methyl-phenyl-amino)quinolin-1-ium-1-yl]methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-phenyl-amine dibromide
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H44Br2N4
InChI InChI=1S/C48H44N4.2BrH/c1-49(41-13-5-3-6-14-41)45-31-33-51(47-19-11-9-17-43(45)47)35-39-27-23-37(24-28-39)21-22-38-25-29-40(30-26-38)36-52-34-32-46(44-18-10-12-20-48(44)52)50(2)42-15-7-4-8-16-42;;/h3-20,23-34H,21-22,35-36H2,1-2H3;2*1H/q+2;;/p-2
InChIKey YMNIXLWGKJJRJR-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 836.712 g/mol
Solvent DMSO-D6
Source File Reference UWLU36456