![[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](/api/spectrum/DRb9PBhfiVn/structure.png?h=300&w=458 "[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
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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 |