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2-[4-[2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]ethyl]benzyl]isoquinolin-2-ium
SpectraBase Compound ID 13sXiBJZ7kX
InChI InChI=1S/C34H30N2/c1-3-7-33-25-35(21-19-31(33)5-1)23-29-15-11-27(12-16-29)9-10-28-13-17-30(18-14-28)24-36-22-20-32-6-2-4-8-34(32)26-36/h1-8,11-22,25-26H,9-10,23-24H2/q+2
InChIKey ALXQXXJPKZYBHV-UHFFFAOYSA-N
Mol Weight 466.6 g/mol
Molecular Formula C34H30N2
Exact Mass 466.240899 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2WVz2ECKR08
Name 2-[4-[2-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]ethyl]benzyl]isoquinolin-2-ium
Compound Number 7
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C34H30N2
InChI InChI=1S/C34H30N2/c1-3-7-33-25-35(21-19-31(33)5-1)23-29-15-11-27(12-16-29)9-10-28-13-17-30(18-14-28)24-36-22-20-32-6-2-4-8-34(32)26-36/h1-8,11-22,25-26H,9-10,23-24H2/q+2
InChIKey ALXQXXJPKZYBHV-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 466.626 g/mol
Solvent CD3OD
Source File Reference UWKP6418