| SpectraBase Compound ID | 1PqxUAPBHPP |
|---|---|
| InChI | InChI=1S/C36H30N4/c1-3-23(2)34-28-18-20-32(39-28)35(24-10-6-4-7-11-24)30-16-14-26(37-30)22-27-15-17-31(38-27)36(25-12-8-5-9-13-25)33-21-19-29(34)40-33/h4-23,37,40H,3H2,1-2H3/b26-22-,27-22-,34-28-,34-29-,35-30-,35-32-,36-31-,36-33- |
| InChIKey | COWWDZGVVXPLEV-HCXLYMFUSA-N |
| Mol Weight | 518.7 g/mol |
| Molecular Formula | C36H30N4 |
| Exact Mass | 518.247047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LHFl0JTpW1w |
|---|---|
| Name | 10-(1-Methylpropyl)-5,15-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 518.247046982 u |
| Formula | C36H30N4 |
| InChI | InChI=1S/C36H30N4/c1-3-23(2)34-28-18-20-32(39-28)35(24-10-6-4-7-11-24)30-16-14-26(37-30)22-27-15-17-31(38-27)36(25-12-8-5-9-13-25)33-21-19-29(34)40-33/h4-23,37,40H,3H2,1-2H3/b26-22-,27-22-,34-28-,34-29-,35-30-,35-32-,36-31-,36-33- |
| InChIKey | COWWDZGVVXPLEV-HCXLYMFUSA-N |
| Molecular Weight | 518.664 g/mol |
| SMILES | C=12N=C(C(=C3NC(=C(C4=CC=CC=C4)C4=NC(=CC=5NC(C1C=1C=CC=CC1)=CC5)C=C4)C=C3)C(CC)C)C=C2 |