| SpectraBase Compound ID | 3VSVrIJWG6L |
|---|---|
| InChI | InChI=1S/C44H26N4O6/c49-27-5-1-3-23(19-27)41-29-9-13-33(45-29)43(25-7-17-37(51)39(53)21-25)35-15-11-31(47-35)42(24-4-2-6-28(50)20-24)32-12-16-36(48-32)44(34-14-10-30(41)46-34)26-8-18-38(52)40(54)22-26/h1-22,45,48-50H/b41-29-,41-30-,42-31-,42-32-,43-33-,43-35-,44-34-,44-36- |
| InChIKey | FOTWFDVHLPDWHE-OXZDRTNCSA-N |
| Mol Weight | 706.7 g/mol |
| Molecular Formula | C44H26N4O6 |
| Exact Mass | 706.185235 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B9UeHdZZNY8 |
|---|---|
| Name | 5,15-BIS-(3,4-BENZOQUINONYL)-10,20-BIS-(3-HYDROXYPHENYL)-PORPHYRIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C44H26N4O6 |
| InChI | InChI=1S/C44H26N4O6/c49-27-5-1-3-23(19-27)41-29-9-13-33(45-29)43(25-7-17-37(51)39(53)21-25)35-15-11-31(47-35)42(24-4-2-6-28(50)20-24)32-12-16-36(48-32)44(34-14-10-30(41)46-34)26-8-18-38(52)40(54)22-26/h1-22,45,48-50H/b41-29-,41-30-,42-31-,42-32-,43-33-,43-35-,44-34-,44-36- |
| InChIKey | FOTWFDVHLPDWHE-OXZDRTNCSA-N |
| Literature Reference Author | R.BONNETT,G.MARTINEZ |
| Literature Reference Citation | ORG.LETTERS,4,2013(2002) |
| Literature Reference DOI | 10.1021/ol025842c |
| Molecular Weight | 706.714 g/mol |
| Sample ID | 28332 |
| Solvent | CDCl3 |