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2-[4-[4-(isoquinolin-2-ium-2-ylmethyl)benzyl]benzyl]isoquinolin-2-ium
SpectraBase Compound ID DBmz7xfz4uL
InChI InChI=1S/C33H28N2/c1-3-7-32-24-34(19-17-30(32)5-1)22-28-13-9-26(10-14-28)21-27-11-15-29(16-12-27)23-35-20-18-31-6-2-4-8-33(31)25-35/h1-20,24-25H,21-23H2/q+2
InChIKey LVTNUBWYQUJJKH-UHFFFAOYSA-N
Mol Weight 452.6 g/mol
Molecular Formula C33H28N2
Exact Mass 452.225249 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I8opXHNczQ8
Name 2-[4-[4-(isoquinolin-2-ium-2-ylmethyl)benzyl]benzyl]isoquinolin-2-ium
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H28N2
InChI InChI=1S/C33H28N2/c1-3-7-32-24-34(19-17-30(32)5-1)22-28-13-9-26(10-14-28)21-27-11-15-29(16-12-27)23-35-20-18-31-6-2-4-8-33(31)25-35/h1-20,24-25H,21-23H2/q+2
InChIKey LVTNUBWYQUJJKH-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 452.599 g/mol
Solvent CD3OD
Source File Reference UWKP6417