| SpectraBase Compound ID | J1OAkoirA5L |
|---|---|
| InChI | InChI=1S/C24H10F12N4/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13/h1-8,37,40H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+ |
| InChIKey | WVGOEXOYKRVJPB-OTHQCIQNSA-N |
| Mol Weight | 582.35 g/mol |
| Molecular Formula | C24H10F12N4 |
| Exact Mass | 582.071384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9QbZtYLQOqn |
|---|---|
| Name | 5,10,15,20-Tetrakis-(trifluoromethyl)-porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 582.071384294 u |
| Formula | C24H10F12N4 |
| InChI | InChI=1S/C24H10F12N4/c25-21(26,27)17-9-1-2-10(37-9)18(22(28,29)30)12-5-6-14(39-12)20(24(34,35)36)16-8-7-15(40-16)19(23(31,32)33)13-4-3-11(17)38-13/h1-8,37,40H/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+ |
| InChIKey | WVGOEXOYKRVJPB-OTHQCIQNSA-N |
| Molecular Weight | 582.353 g/mol |
| SMILES | C(F)(C1=C2C=CC(=N2)C(C(F)(F)F)=C2C=CC(=C(C=3C=CC(=C(C4=CC=C1N4)C(F)(F)F)N3)C(F)(F)F)N2)(F)F |