| SpectraBase Compound ID | IGY1hrdRZ62 |
|---|---|
| InChI | InChI=1S/C43H42N6O3/c1-4-23-51-25-7-11-31-33-13-17-37(45-33)41(30-10-6-9-29(27-30)28-50)38-18-14-34(46-38)32(12-8-26-52-24-5-2)36-16-20-40(48-36)42(39-19-15-35(31)47-39)43-44-21-22-49(43)3/h4-6,9-10,13-22,27-28,45,48H,1-2,7-8,11-12,23-26H2,3H3/b33-31-,34-32-,35-31-,36-32-,41-37-,41-38-,42-39+,42-40+ |
| InChIKey | AEZNVEWJQCDDAT-VOSGIRORSA-N |
| Mol Weight | 690.8 g/mol |
| Molecular Formula | C43H42N6O3 |
| Exact Mass | 690.331839 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G4LK4tcJCJr |
|---|---|
| Name | 5-(1-METHYLIMIDAZOL-2-YL)-10,15-BIS-(3-ALLYLOXYPROPYL)-20-(3-FORMYLPHENYL)-PORPHYRIN |
| Compound Number | 6 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C43H42N6O3 |
| InChI | InChI=1S/C43H42N6O3/c1-4-23-51-25-7-11-31-33-13-17-37(45-33)41(30-10-6-9-29(27-30)28-50)38-18-14-34(46-38)32(12-8-26-52-24-5-2)36-16-20-40(48-36)42(39-19-15-35(31)47-39)43-44-21-22-49(43)3/h4-6,9-10,13-22,27-28,45,48H,1-2,7-8,11-12,23-26H2,3H3/b33-31-,34-32-,35-31-,36-32-,41-37-,41-38-,42-39+,42-40+ |
| InChIKey | AEZNVEWJQCDDAT-VOSGIRORSA-N |
| Literature Reference Author | C.IKEDA,A.SATAKE,Y.KOBUKE |
| Literature Reference Citation | ORG.LETTERS,5,4935(2003) |
| Literature Reference DOI | 10.1021/ol0357191 |
| Molecular Weight | 690.845 g/mol |
| Sample ID | 29436 |
| Solvent | CDCl3 |