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2-[4-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]benzyl]isoquinolin-2-ium
SpectraBase Compound ID LiViVafN1R0
InChI InChI=1S/C32H26N2/c1-3-7-31-23-33(19-17-27(31)5-1)21-25-9-13-29(14-10-25)30-15-11-26(12-16-30)22-34-20-18-28-6-2-4-8-32(28)24-34/h1-20,23-24H,21-22H2/q+2
InChIKey IIQRMJKACGMTIG-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C32H26N2
Exact Mass 438.209599 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A1A56oRRhKb
Name 2-[4-[4-(isoquinolin-2-ium-2-ylmethyl)phenyl]benzyl]isoquinolin-2-ium
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H26N2
InChI InChI=1S/C32H26N2/c1-3-7-31-23-33(19-17-27(31)5-1)21-25-9-13-29(14-10-25)30-15-11-26(12-16-30)22-34-20-18-28-6-2-4-8-32(28)24-34/h1-20,23-24H,21-22H2/q+2
InChIKey IIQRMJKACGMTIG-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 438.572 g/mol
Solvent CD3OD
Source File Reference UWKP6416