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2-[4-[3-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]propyl]benzyl]isoquinolin-2-ium
SpectraBase Compound ID 72FNudbSUPI
InChI InChI=1S/C35H32N2/c1-3-10-34-26-36(22-20-32(34)8-1)24-30-16-12-28(13-17-30)6-5-7-29-14-18-31(19-15-29)25-37-23-21-33-9-2-4-11-35(33)27-37/h1-4,8-23,26-27H,5-7,24-25H2/q+2
InChIKey LQMDNUVUVRUGPY-UHFFFAOYSA-N
Mol Weight 480.7 g/mol
Molecular Formula C35H32N2
Exact Mass 480.256549 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8mtSUUttmCg
Name 2-[4-[3-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]propyl]benzyl]isoquinolin-2-ium
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C35H32N2
InChI InChI=1S/C35H32N2/c1-3-10-34-26-36(22-20-32(34)8-1)24-30-16-12-28(13-17-30)6-5-7-29-14-18-31(19-15-29)25-37-23-21-33-9-2-4-11-35(33)27-37/h1-4,8-23,26-27H,5-7,24-25H2/q+2
InChIKey LQMDNUVUVRUGPY-UHFFFAOYSA-N
Literature Reference Author J.CAMPOS,J.J.DIAZ,M.C.NUNEZ,A.ENTRENA,M.A.GALLO,A.ESPINOSA
Literature Reference Citation MAGN.RES.CHEM.,40,554(2002)
Literature Reference DOI 10.1002/mrc.1050
Molecular Weight 480.652 g/mol
Solvent CD3OD
Source File Reference UWKP6419