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[N'-[3-[[[dimethylamino-(2-imidazol-3-ium-4-ylethylammonio)methylene]amino]methyl]benzyl]-N,N-dimethyl-carbamimidoyl]-(2-imidazol-3-ium-4-ylethyl)ammonium tetrachloride
SpectraBase Compound ID IMXDmoHekB9
InChI InChI=1S/C24H36N10.4ClH/c1-33(2)23(27-10-8-21-15-25-17-31-21)29-13-19-6-5-7-20(12-19)14-30-24(34(3)4)28-11-9-22-16-26-18-32-22;;;;/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30);4*1H
InChIKey XXJLSDMMMWVFEW-UHFFFAOYSA-N
Mol Weight 610.47 g/mol
Molecular Formula C24H40Cl4N10
Exact Mass 608.219152 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DRb9PBhfiVn
Name [N'-[3-[[[dimethylamino-(2-imidazol-3-ium-4-ylethylammonio)methylene]amino]methyl]benzyl]-N,N-dimethyl-carbamimidoyl]-(2-imidazol-3-ium-4-ylethyl)ammonium tetrachloride
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H40Cl4N10
InChI InChI=1S/C24H36N10.4ClH/c1-33(2)23(27-10-8-21-15-25-17-31-21)29-13-19-6-5-7-20(12-19)14-30-24(34(3)4)28-11-9-22-16-26-18-32-22;;;;/h5-7,12,15-18H,8-11,13-14H2,1-4H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30);4*1H
InChIKey XXJLSDMMMWVFEW-UHFFFAOYSA-N
Literature Reference Author H.H.ZEPIK,S.A.BENNER
Literature Reference Citation J.ORG.CHEM.,64,8080(1999)
Literature Reference DOI 10.1021/jo982418+
Molecular Weight 610.461 g/mol
Sample ID 40415
Solvent DMSO-D6