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7-chloro-1-[4-[2-[4-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]ethyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide

View entire compound with spectra: 1 NMR

7-chloro-1-[4-[2-[4-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]ethyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide
SpectraBase Compound ID 4mNsApySCJD
InChI InChI=1S/C42H42Cl2N4.2BrH/c43-35-15-17-37-39(45-21-1-2-22-45)19-25-47(41(37)27-35)29-33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)30-48-26-20-40(46-23-3-4-24-46)38-18-16-36(44)28-42(38)48;;/h7-20,25-28H,1-6,21-24,29-30H2;2*1H/q+2;;/p-2
InChIKey ATVKBEJRGBMAHK-UHFFFAOYSA-L
Mol Weight 833.54 g/mol
Molecular Formula C42H42Br2Cl2N4
Exact Mass 830.115329 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID H7EVa43RB5A
Name 7-chloro-1-[4-[2-[4-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]ethyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide
Compound Number 30
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C42H42Br2Cl2N4
InChI InChI=1S/C42H42Cl2N4.2BrH/c43-35-15-17-37-39(45-21-1-2-22-45)19-25-47(41(37)27-35)29-33-11-7-31(8-12-33)5-6-32-9-13-34(14-10-32)30-48-26-20-40(46-23-3-4-24-46)38-18-16-36(44)28-42(38)48;;/h7-20,25-28H,1-6,21-24,29-30H2;2*1H/q+2;;/p-2
InChIKey ATVKBEJRGBMAHK-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 833.536 g/mol
Solvent DMSO-D6
Source File Reference UWLU36470