| SpectraBase Compound ID | 658zh0cotGG |
|---|---|
| InChI | InChI=1S/C52H25F21N4O3S/c53-45(54,50(67,68)80-51(69,70)52(71,72)81(73,78)79)32-23-39-42(26-5-13-30(14-6-26)48(61,62)63)37-20-19-35(75-37)40(24-1-9-28(10-2-24)46(55,56)57)33-17-18-34(74-33)41(25-3-11-29(12-4-25)47(58,59)60)36-21-22-38(76-36)43(44(32)77-39)27-7-15-31(16-8-27)49(64,65)66/h1-23,75-76H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
| InChIKey | LTFHALFPHBPFFW-FGSSQFOESA-N |
| Mol Weight | 1184.8 g/mol |
| Molecular Formula | C52H25F21N4O3S |
| Exact Mass | 1184.131203 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EhiirzKwAJF |
|---|---|
| Name | 2-(3-OXA-OMEGA-FLUOROSULFONYLPERFLUOROPENTANYL)-5,10,15,20-TETRAKIS-(4-TRIFLUOROMETHYLPHENYL)-PORPHYRIN |
| Compound Number | 3BD |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H25F21N4O3S |
| InChI | InChI=1S/C52H25F21N4O3S/c53-45(54,50(67,68)80-51(69,70)52(71,72)81(73,78)79)32-23-39-42(26-5-13-30(14-6-26)48(61,62)63)37-20-19-35(75-37)40(24-1-9-28(10-2-24)46(55,56)57)33-17-18-34(74-33)41(25-3-11-29(12-4-25)47(58,59)60)36-21-22-38(76-36)43(44(32)77-39)27-7-15-31(16-8-27)49(64,65)66/h1-23,75-76H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
| InChIKey | LTFHALFPHBPFFW-FGSSQFOESA-N |
| Literature Reference Author | L.M.JIN,Z.ZENG,C.C.GUO,Q.Y.CHEN |
| Literature Reference Citation | J.ORG.CHEM.,68,3912(2003) |
| Literature Reference DOI | 10.1021/jo0207269 |
| Solvent | CDCl3 |
| Source File Reference | UWLU23249 |