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[7-chloro-1-[4-[2-[4-[[7-chloro-4-[(4-chlorophenyl)-methyl-amino]quinolin-1-ium-1-yl]methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-(4-chlorophenyl)-methyl-amine dibromide
SpectraBase Compound ID KHPK9FDYBAp
InChI InChI=1S/C48H40Cl4N4.2BrH/c1-53(41-19-13-37(49)14-20-41)45-25-27-55(47-29-39(51)17-23-43(45)47)31-35-9-5-33(6-10-35)3-4-34-7-11-36(12-8-34)32-56-28-26-46(44-24-18-40(52)30-48(44)56)54(2)42-21-15-38(50)16-22-42;;/h5-30H,3-4,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WTALFSHAFDAHOA-UHFFFAOYSA-L
Mol Weight 974.496 g/mol
Molecular Formula C48H40Br2Cl4N4
Exact Mass 970.037384 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID rdy87jDol5
Name [7-chloro-1-[4-[2-[4-[[7-chloro-4-[(4-chlorophenyl)-methyl-amino]quinolin-1-ium-1-yl]methyl]phenyl]ethyl]benzyl]quinolin-1-ium-4-yl]-(4-chlorophenyl)-methyl-amine dibromide
Compound Number 32
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H40Br2Cl4N4
InChI InChI=1S/C48H40Cl4N4.2BrH/c1-53(41-19-13-37(49)14-20-41)45-25-27-55(47-29-39(51)17-23-43(45)47)31-35-9-5-33(6-10-35)3-4-34-7-11-36(12-8-34)32-56-28-26-46(44-24-18-40(52)30-48(44)56)54(2)42-21-15-38(50)16-22-42;;/h5-30H,3-4,31-32H2,1-2H3;2*1H/q+2;;/p-2
InChIKey WTALFSHAFDAHOA-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 974.492 g/mol
Solvent DMSO-D6
Source File Reference UWLU36472