| SpectraBase Compound ID | AfJWpuYVBzs |
|---|---|
| InChI | InChI=1S/C52H57N7/c1-49(2,3)33-21-30(22-34(25-33)50(4,5)6)45-39-15-13-37(56-39)27-38-14-16-40(57-38)46(31-23-35(51(7,8)9)26-36(24-31)52(10,11)12)42-18-20-44(59-42)47(43-19-17-41(45)58-43)32-28-54-48(53)55-29-32/h13-29,56,59H,1-12H3,(H2,53,54,55)/b37-27-,38-27-,45-39-,45-41+,46-40-,46-42-,47-43+,47-44- |
| InChIKey | NAGYWDSWLOIFSF-KWHLONJPSA-N |
| Mol Weight | 780.1 g/mol |
| Molecular Formula | C52H57N7 |
| Exact Mass | 779.467545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4H1fTQhUiUP |
|---|---|
| Name | 5-(2-AMINOPYRIMIDIN-5-YL)-10,20-BIS-(3,5-DI-TERT.-BUTYLPHENYL)-21H,23H-PORPHINE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H57N7 |
| InChI | InChI=1S/C52H57N7/c1-49(2,3)33-21-30(22-34(25-33)50(4,5)6)45-39-15-13-37(56-39)27-38-14-16-40(57-38)46(31-23-35(51(7,8)9)26-36(24-31)52(10,11)12)42-18-20-44(59-42)47(43-19-17-41(45)58-43)32-28-54-48(53)55-29-32/h13-29,56,59H,1-12H3,(H2,53,54,55)/b37-27-,38-27-,45-39-,45-41+,46-40-,46-42-,47-43+,47-44- |
| InChIKey | NAGYWDSWLOIFSF-KWHLONJPSA-N |
| Literature Reference Author | T.S.BALABAN,R.GODDARD,M.LINKE-SCHAETZEL,J.M.LEHN |
| Literature Reference Citation | J.AM.CHEM.SOC.,125,4233(2003) |
| Literature Reference DOI | 10.1021/ja029548r |
| Molecular Weight | 780.071 g/mol |
| Sample ID | 40868 |
| Solvent | CDCl3 |