![1-[(CAFFEOYLOXY)-(CARBOXY)-METHOXY]-1H-PYRROLE-2,3,5-TRICARBOXYLIC-ACID](/api/spectrum/1mGCWoZEH8p/structure.png?h=300&w=458 "1-[(CAFFEOYLOXY)-(CARBOXY)-METHOXY]-1H-PYRROLE-2,3,5-TRICARBOXYLIC-ACID")
| SpectraBase Compound ID | KlSS97JGIKo |
|---|---|
| InChI | InChI=1S/C18H13NO13/c20-10-3-1-7(5-11(10)21)2-4-12(22)31-18(17(29)30)32-19-9(15(25)26)6-8(14(23)24)13(19)16(27)28/h1-6,18,20-21H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b4-2+ |
| InChIKey | CNDSHNMTDSSFOW-DUXPYHPUSA-N |
| Mol Weight | 451.3 g/mol |
| Molecular Formula | C18H13NO13 |
| Exact Mass | 451.038689 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mGCWoZEH8p |
|---|---|
| Name | 1-[(CAFFEOYLOXY)-(CARBOXY)-METHOXY]-1H-PYRROLE-2,3,5-TRICARBOXYLIC-ACID |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C18H13NO13 |
| InChI | InChI=1S/C18H13NO13/c20-10-3-1-7(5-11(10)21)2-4-12(22)31-18(17(29)30)32-19-9(15(25)26)6-8(14(23)24)13(19)16(27)28/h1-6,18,20-21H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)/b4-2+ |
| InChIKey | CNDSHNMTDSSFOW-DUXPYHPUSA-N |
| Literature Reference Author | J.BUDZIANOWSKI |
| Literature Reference Citation | PHYTOCHEM.,29,3299(1990) |
| Literature Reference DOI | 10.1016/0031-9422(90)80203-S |
| Molecular Weight | 451.300 g/mol |
| Solvent | DMSO-D6 |
| Source File Reference | UWKP6723 |