| SpectraBase Compound ID | GJqNaq1WJ12 |
|---|---|
| InChI | InChI=1S/C32H10F28N4/c33-21(34,25(41,42)29(49,50)51)17-9-1-2-10(61-9)18(22(35,36)26(43,44)30(52,53)54)12-5-6-14(63-12)20(24(39,40)28(47,48)32(58,59)60)16-8-7-15(64-16)19(13-4-3-11(17)62-13)23(37,38)27(45,46)31(55,56)57/h1-8,61,64H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+ |
| InChIKey | FCNLTAYBETUHOO-OTHQCIQNSA-N |
| Mol Weight | 982.4 g/mol |
| Molecular Formula | C32H10F28N4 |
| Exact Mass | 982.045835 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IVK6f0qgqeM |
|---|---|
| Name | 5,10,15,20-Tetrakis-(heptafluoropropyl)-porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 982.045834902 u |
| Formula | C32H10F28N4 |
| InChI | InChI=1S/C32H10F28N4/c33-21(34,25(41,42)29(49,50)51)17-9-1-2-10(61-9)18(22(35,36)26(43,44)30(52,53)54)12-5-6-14(63-12)20(24(39,40)28(47,48)32(58,59)60)16-8-7-15(64-16)19(13-4-3-11(17)62-13)23(37,38)27(45,46)31(55,56)57/h1-8,61,64H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+ |
| InChIKey | FCNLTAYBETUHOO-OTHQCIQNSA-N |
| Molecular Weight | 982.415 g/mol |
| SMILES | C(F)(F)(C(F)(F)C(F)(F)F)C=1C2=CC=C(C(C(F)(F)C(F)(C(F)(F)F)F)=C3C=CC(C(=C4C=CC(=C(C=5C=CC1N5)C(F)(F)C(F)(F)C(F)(F)F)N4)C(F)(F)C(F)(F)C(F)(F)F)=N3)N2 |