![5-Tert-butyl-15-[4-(dimethylamino)phenyl]porphyrin](/api/spectrum/3SzaavtqbZM/structure.png?h=300&w=458 "5-Tert-butyl-15-[4-(dimethylamino)phenyl]porphyrin")
| SpectraBase Compound ID | FqVlouaqyhy |
|---|---|
| InChI | InChI=1S/C32H31N5/c1-32(2,3)31-28-16-10-23(35-28)18-21-8-14-26(33-21)30(20-6-12-25(13-7-20)37(4)5)27-15-9-22(34-27)19-24-11-17-29(31)36-24/h6-19,33,36H,1-5H3/b21-18-,22-19-,23-18-,24-19-,30-26-,30-27-,31-28+,31-29+ |
| InChIKey | YTEITGAKHGYUCC-MCUXRYJVSA-N |
| Mol Weight | 485.6 g/mol |
| Molecular Formula | C32H31N5 |
| Exact Mass | 485.257946 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3SzaavtqbZM |
|---|---|
| Name | 5-Tert-butyl-15-[4-(dimethylamino)phenyl]porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 485.257946018 u |
| Formula | C32H31N5 |
| InChI | InChI=1S/C32H31N5/c1-32(2,3)31-28-16-10-23(35-28)18-21-8-14-26(33-21)30(20-6-12-25(13-7-20)37(4)5)27-15-9-22(34-27)19-24-11-17-29(31)36-24/h6-19,33,36H,1-5H3/b21-18-,22-19-,23-18-,24-19-,30-26-,30-27-,31-28+,31-29+ |
| InChIKey | YTEITGAKHGYUCC-MCUXRYJVSA-N |
| Molecular Weight | 485.635 g/mol |
| SMILES | C12=C(C=3NC(C=C4N=C(C(=C5NC(=CC(=N2)C=C1)C=C5)C=1C=CC(=CC1)N(C)C)C=C4)=CC3)C(C)(C)C |