| SpectraBase Compound ID | CdC9OAYz1BT |
|---|---|
| InChI | InChI=1S/C52H29F17N4O3S/c53-45(54,46(55,56)47(57,58)48(59,60)49(61,62)50(63,64)76-51(65,66)52(67,68)77(69,74)75)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(71-37)40(28-13-5-1-6-14-28)33-21-22-34(70-33)41(29-15-7-2-8-16-29)36-25-26-38(72-36)43(44(32)73-39)31-19-11-4-12-20-31/h1-27,71-72H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
| InChIKey | KTPPCWLAEPBDCG-FGSSQFOESA-N |
| Mol Weight | 1112.9 g/mol |
| Molecular Formula | C52H29F17N4O3S |
| Exact Mass | 1112.168891 g/mol |
19F Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7MgOWvn7Pne |
|---|---|
| Name | 2-(7-OXA-OMEGA-FLUOROSULFONYLPERFLUORONANOYL)-5,10,15,20-TETRAPHENYLPORPHYRIN |
| Compound Number | 3AE |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C52H29F17N4O3S |
| InChI | InChI=1S/C52H29F17N4O3S/c53-45(54,46(55,56)47(57,58)48(59,60)49(61,62)50(63,64)76-51(65,66)52(67,68)77(69,74)75)32-27-39-42(30-17-9-3-10-18-30)37-24-23-35(71-37)40(28-13-5-1-6-14-28)33-21-22-34(70-33)41(29-15-7-2-8-16-29)36-25-26-38(72-36)43(44(32)73-39)31-19-11-4-12-20-31/h1-27,71-72H/b40-33-,40-35-,41-34-,41-36-,42-37-,42-39-,43-38-,44-43- |
| InChIKey | KTPPCWLAEPBDCG-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 | UWLU23247 |