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7-chloro-1-[3-[3-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide

View entire compound with spectra: 1 NMR

7-chloro-1-[3-[3-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide
SpectraBase Compound ID GsdR82sWkmh
InChI InChI=1S/C40H38Cl2N4.2BrH/c41-33-11-13-35-37(43-17-1-2-18-43)15-21-45(39(35)25-33)27-29-7-5-9-31(23-29)32-10-6-8-30(24-32)28-46-22-16-38(44-19-3-4-20-44)36-14-12-34(42)26-40(36)46;;/h5-16,21-26H,1-4,17-20,27-28H2;2*1H/q+2;;/p-2
InChIKey XMJPZSXVADLEHT-UHFFFAOYSA-L
Mol Weight 805.486 g/mol
Molecular Formula C40H38Br2Cl2N4
Exact Mass 802.084029 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ev0VWcAiIzG
Name 7-chloro-1-[3-[3-[(7-chloro-4-pyrrolidin-1-yl-quinolin-1-ium-1-yl)methyl]phenyl]benzyl]-4-pyrrolidin-1-yl-quinolin-1-ium dibromide
Compound Number 20
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C40H38Br2Cl2N4
InChI InChI=1S/C40H38Cl2N4.2BrH/c41-33-11-13-35-37(43-17-1-2-18-43)15-21-45(39(35)25-33)27-29-7-5-9-31(23-29)32-10-6-8-30(24-32)28-46-22-16-38(44-19-3-4-20-44)36-14-12-34(42)26-40(36)46;;/h5-16,21-26H,1-4,17-20,27-28H2;2*1H/q+2;;/p-2
InChIKey XMJPZSXVADLEHT-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 805.483 g/mol
Solvent DMSO-D6
Source File Reference UWLU36459