![[N'-[3-[[[amino-(2-imidazol-3-ium-4-ylethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-imidazol-3-ium-4-ylethyl)ammonium tetrachloride](/api/spectrum/H0sHKPJ2cLV/structure.png?h=300&w=458 "[N'-[3-[[[amino-(2-imidazol-3-ium-4-ylethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-imidazol-3-ium-4-ylethyl)ammonium tetrachloride")
| SpectraBase Compound ID | 22a4S9S8yL4 |
|---|---|
| InChI | InChI=1S/C20H28N10.4ClH/c21-19(25-6-4-17-11-23-13-29-17)27-9-15-2-1-3-16(8-15)10-28-20(22)26-7-5-18-12-24-14-30-18;;;;/h1-3,8,11-14H,4-7,9-10H2,(H,23,29)(H,24,30)(H3,21,25,27)(H3,22,26,28);4*1H |
| InChIKey | NPEIJNQZIUURSA-UHFFFAOYSA-N |
| Mol Weight | 554.36 g/mol |
| Molecular Formula | C20H32Cl4N10 |
| Exact Mass | 552.156552 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | H0sHKPJ2cLV |
|---|---|
| Name | [N'-[3-[[[amino-(2-imidazol-3-ium-4-ylethylammonio)methylene]amino]methyl]benzyl]carbamimidoyl]-(2-imidazol-3-ium-4-ylethyl)ammonium tetrachloride |
| Compound Number | 17 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H32Cl4N10 |
| InChI | InChI=1S/C20H28N10.4ClH/c21-19(25-6-4-17-11-23-13-29-17)27-9-15-2-1-3-16(8-15)10-28-20(22)26-7-5-18-12-24-14-30-18;;;;/h1-3,8,11-14H,4-7,9-10H2,(H,23,29)(H,24,30)(H3,21,25,27)(H3,22,26,28);4*1H |
| InChIKey | NPEIJNQZIUURSA-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 | 554.353 g/mol |
| Sample ID | 40411 |
| Solvent | DMSO-D6 |