| SpectraBase Compound ID | 9g9yNGHI9fU |
|---|---|
| InChI | InChI=1S/C36H30N4/c1-2-3-14-28-29-19-21-33(39-29)35(24-10-6-4-7-11-24)31-17-15-26(37-31)23-27-16-18-32(38-27)36(25-12-8-5-9-13-25)34-22-20-30(28)40-34/h4-13,15-23,37,40H,2-3,14H2,1H3/b26-23+,27-23+,29-28-,30-28-,35-31-,35-33-,36-32-,36-34-/i23D |
| InChIKey | FAXKPEVKGSHOLS-ZEDIWCHVSA-N |
| Mol Weight | 519.7 g/mol |
| Molecular Formula | C36H292DN4 |
| Exact Mass | 519.253324 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 66FguXAqgRF |
|---|---|
| Name | 5-Butyl-15-deutero-10,20-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 519.253323728 u |
| Formula | C36H29[2D]N4 |
| InChI | InChI=1S/C36H30N4/c1-2-3-14-28-29-19-21-33(39-29)35(24-10-6-4-7-11-24)31-17-15-26(37-31)23-27-16-18-32(38-27)36(25-12-8-5-9-13-25)34-22-20-30(28)40-34/h4-13,15-23,37,40H,2-3,14H2,1H3/b26-23+,27-23+,29-28-,30-28-,35-31-,35-33-,36-32-,36-34-/i23D |
| InChIKey | FAXKPEVKGSHOLS-ZEDIWCHVSA-N |
| Molecular Weight | 519.670 g/mol |
| SMILES | C=12N=C(C(=C3NC(=C(C4=CC=CC=C4)C4=NC(=C(C=5NC(C1C1=CC=CC=C1)=CC5)[2D])C=C4)C=C3)CCCC)C=C2 |