![1,3-BIS-[5-(1-METHYLIMIDAZOL-2-YL)-10,20-BIS-(3-ALLYLOXYPROPYL)-PORPHYRIN-15-YL]-BENZENE](/api/spectrum/5xKy6ZMkpwm/structure.png?h=300&w=458 "1,3-BIS-[5-(1-METHYLIMIDAZOL-2-YL)-10,20-BIS-(3-ALLYLOXYPROPYL)-PORPHYRIN-15-YL]-BENZENE")
| SpectraBase Compound ID | FhWpodp4hc5 |
|---|---|
| InChI | InChI=1S/C78H78N12O4/c1-7-42-91-46-12-18-53-57-22-30-65(81-57)73(66-31-23-58(82-66)54(19-13-47-92-43-8-2)62-27-35-70(86-62)75(69-34-26-61(53)85-69)77-79-38-40-89(77)5)51-16-11-17-52(50-51)74-67-32-24-59(83-67)55(20-14-48-93-44-9-3)63-28-36-71(87-63)76(78-80-39-41-90(78)6)72-37-29-64(88-72)56(21-15-49-94-45-10-4)60-25-33-68(74)84-60/h7-11,16-17,22-41,50,81,83,86,88H,1-4,12-15,18-21,42-49H2,5-6H3/b57-53-,58-54-,59-55-,60-56-,61-53-,62-54-,63-55-,64-56-,73-65-,73-66-,74-67-,74-68-,75-69+,75-70+,76-71+,76-72+ |
| InChIKey | ZUGRFNDUZGWUJY-SJEQBLBDSA-N |
| Mol Weight | 1247.6 g/mol |
| Molecular Formula | C78H78N12O4 |
| Exact Mass | 1246.626899 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5xKy6ZMkpwm |
|---|---|
| Name | 1,3-BIS-[5-(1-METHYLIMIDAZOL-2-YL)-10,20-BIS-(3-ALLYLOXYPROPYL)-PORPHYRIN-15-YL]-BENZENE |
| Compound Number | 1-FB |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C78H78N12O4 |
| InChI | InChI=1S/C78H78N12O4/c1-7-42-91-46-12-18-53-57-22-30-65(81-57)73(66-31-23-58(82-66)54(19-13-47-92-43-8-2)62-27-35-70(86-62)75(69-34-26-61(53)85-69)77-79-38-40-89(77)5)51-16-11-17-52(50-51)74-67-32-24-59(83-67)55(20-14-48-93-44-9-3)63-28-36-71(87-63)76(78-80-39-41-90(78)6)72-37-29-64(88-72)56(21-15-49-94-45-10-4)60-25-33-68(74)84-60/h7-11,16-17,22-41,50,81,83,86,88H,1-4,12-15,18-21,42-49H2,5-6H3/b57-53-,58-54-,59-55-,60-56-,61-53-,62-54-,63-55-,64-56-,73-65-,73-66-,74-67-,74-68-,75-69+,75-70+,76-71+,76-72+ |
| InChIKey | ZUGRFNDUZGWUJY-SJEQBLBDSA-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 | 1247.555 g/mol |
| Sample ID | 29437 |
| Solvent | CDCl3 |