![[5,10,15,20-Tetrakis-(heptafluoropropyl)-porphinato]-zinc-(ii)](/api/spectrum/JwWa4Npd84P/structure.png?h=300&w=458 "[5,10,15,20-Tetrakis-(heptafluoropropyl)-porphinato]-zinc-(ii)")
| SpectraBase Compound ID | HXfyH7C1reA |
|---|---|
| InChI | InChI=1S/C32H8F28N4.Zn/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;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+; |
| InChIKey | MNNIUOVXJHEPMD-HQJDZOCDSA-N |
| Mol Weight | 1045.8 g/mol |
| Molecular Formula | C32H8F28N4Zn |
| Exact Mass | 1043.959327 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JwWa4Npd84P |
|---|---|
| Name | [5,10,15,20-Tetrakis-(heptafluoropropyl)-porphinato]-zinc-(ii) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 1043.959326838 u |
| Formula | C32H8F28N4Zn |
| InChI | InChI=1S/C32H8F28N4.Zn/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;/h1-8H;/q-2;+2/b17-9+,17-11+,18-10+,18-12+,19-13+,19-15+,20-14+,20-16+; |
| InChIKey | MNNIUOVXJHEPMD-HQJDZOCDSA-N |
| Molecular Weight | 1045.781 g/mol |
| SMILES | C1=2N=3[Zn]45N6C(C=CC6=C(C=6C=CC(=C(C7=CC=C(C2C(F)(F)C(F)(F)C(F)(F)F)N57)C(F)(F)C(F)(C(F)(F)F)F)N46)C(F)(F)C(F)(F)C(F)(F)F)=C(C3C=C1)C(F)(F)C(F)(F)C(F)(F)F |