| SpectraBase Compound ID | IPZ57f4vZBr |
|---|---|
| InChI | InChI=1S/C48H52N6O4/c1-6-25-55-27-9-13-34-36-15-19-40(50-36)44(32-11-8-12-33(29-32)47-57-30-48(3,4)31-58-47)41-20-16-37(51-41)35(14-10-28-56-26-7-2)39-18-22-43(53-39)45(42-21-17-38(34)52-42)46-49-23-24-54(46)5/h6-8,11-12,15-24,29,47,50,53H,1-2,9-10,13-14,25-28,30-31H2,3-5H3/b36-34-,37-35-,38-34-,39-35-,44-40-,44-41-,45-42+,45-43+ |
| InChIKey | HTVIPUJWROTMLT-JJYWRJCVSA-N |
| Mol Weight | 777.0 g/mol |
| Molecular Formula | C48H52N6O4 |
| Exact Mass | 776.405004 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1aIu9rIkJuX |
|---|---|
| Name | 5-(1-METHYLIMIDAZOL-2-YL)-10,20-BIS-(3-ALLYLOXYPROPYL)-15-(3-(4,4-DIMETHYL-2,6-DIOXAN-1-YL)-PHENYL)-PORPHYRIN |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C48H52N6O4 |
| InChI | InChI=1S/C48H52N6O4/c1-6-25-55-27-9-13-34-36-15-19-40(50-36)44(32-11-8-12-33(29-32)47-57-30-48(3,4)31-58-47)41-20-16-37(51-41)35(14-10-28-56-26-7-2)39-18-22-43(53-39)45(42-21-17-38(34)52-42)46-49-23-24-54(46)5/h6-8,11-12,15-24,29,47,50,53H,1-2,9-10,13-14,25-28,30-31H2,3-5H3/b36-34-,37-35-,38-34-,39-35-,44-40-,44-41-,45-42+,45-43+ |
| InChIKey | HTVIPUJWROTMLT-JJYWRJCVSA-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 | 776.979 g/mol |
| Sample ID | 29435 |
| Solvent | CDCl3 |