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

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[1-[4-[2-[4-[(4-dimethylaminoquinolin-1-ium-1-yl)methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-dimethyl-amine dibromide
SpectraBase Compound ID 7HuCU2ILO3P
InChI InChI=1S/C38H40N4.2BrH/c1-39(2)35-23-25-41(37-11-7-5-9-33(35)37)27-31-19-15-29(16-20-31)13-14-30-17-21-32(22-18-30)28-42-26-24-36(40(3)4)34-10-6-8-12-38(34)42;;/h5-12,15-26H,13-14,27-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKey HVZZKKNMUPIPGL-UHFFFAOYSA-L
Mol Weight 712.574 g/mol
Molecular Formula C38H40Br2N4
Exact Mass 710.161973 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HMU20FDDFIb
Name [1-[4-[2-[4-[(4-dimethylaminoquinolin-1-ium-1-yl)methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-dimethyl-amine dibromide
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C38H40Br2N4
InChI InChI=1S/C38H40N4.2BrH/c1-39(2)35-23-25-41(37-11-7-5-9-33(35)37)27-31-19-15-29(16-20-31)13-14-30-17-21-32(22-18-30)28-42-26-24-36(40(3)4)34-10-6-8-12-38(34)42;;/h5-12,15-26H,13-14,27-28H2,1-4H3;2*1H/q+2;;/p-2
InChIKey HVZZKKNMUPIPGL-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 712.570 g/mol
Solvent DMSO-D6
Source File Reference UWLU36453