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2-[3,5-bis(1,3-dimethylbenzimidazol-1-ium-2-yl)phenyl]-1,3-dimethylbenzimidazol-1-ium triiodide

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2-[3,5-bis(1,3-dimethylbenzimidazol-1-ium-2-yl)phenyl]-1,3-dimethylbenzimidazol-1-ium triiodide
SpectraBase Compound ID AEo8DhangLl
InChI InChI=1S/C33H33N6.3HI/c1-34-25-13-7-8-14-26(25)35(2)31(34)22-19-23(32-36(3)27-15-9-10-16-28(27)37(32)4)21-24(20-22)33-38(5)29-17-11-12-18-30(29)39(33)6;;;/h7-21H,1-6H3;3*1H/q+3;;;/p-3
InChIKey NJIOSXRUCSKZFY-UHFFFAOYSA-K
Mol Weight 894.38242 g/mol
Molecular Formula C33H33I3N6
Exact Mass 893.99008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ow3BM7zRcl
Name 2-[3,5-bis(1,3-dimethylbenzimidazol-1-ium-2-yl)phenyl]-1,3-dimethylbenzimidazol-1-ium triiodide
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C33H33I3N6
InChI InChI=1S/C33H33N6.3HI/c1-34-25-13-7-8-14-26(25)35(2)31(34)22-19-23(32-36(3)27-15-9-10-16-28(27)37(32)4)21-24(20-22)33-38(5)29-17-11-12-18-30(29)39(33)6;;;/h7-21H,1-6H3;3*1H/q+3;;;/p-3
InChIKey NJIOSXRUCSKZFY-UHFFFAOYSA-K
Literature Reference Author B.ZHANG,Y.GAO,J.L.LI,Z.SHI
Literature Reference Citation CHIN.CHEM.LETT.,17,1165(2006)
Molecular Weight 894.379 g/mol
Sample ID 46447
Solvent DMSO-D6