| SpectraBase Compound ID | AfT4s7cUrc1 |
|---|---|
| InChI | InChI=1S/C41H32N4O/c1-2-9-30-31-18-20-33(42-31)39(26-10-5-3-6-11-26)35-22-24-37(44-35)41(28-14-16-29(46)17-15-28)38-25-23-36(45-38)40(27-12-7-4-8-13-27)34-21-19-32(30)43-34/h3-8,10-25,42,45-46H,2,9H2,1H3/b31-30-,32-30-,39-33-,39-35-,40-34-,40-36-,41-37-,41-38- |
| InChIKey | PYYQVOALAPVERE-MIVUTDAYSA-N |
| Mol Weight | 596.7 g/mol |
| Molecular Formula | C41H32N4O |
| Exact Mass | 596.257612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1UOcYCfuLtl |
|---|---|
| Name | 5-(4-Hydroxyphenyl)-15-propyl-10,20-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 596.257611665 u |
| Formula | C41H32N4O |
| InChI | InChI=1S/C41H32N4O/c1-2-9-30-31-18-20-33(42-31)39(26-10-5-3-6-11-26)35-22-24-37(44-35)41(28-14-16-29(46)17-15-28)38-25-23-36(45-38)40(27-12-7-4-8-13-27)34-21-19-32(30)43-34/h3-8,10-25,42,45-46H,2,9H2,1H3/b31-30-,32-30-,39-33-,39-35-,40-34-,40-36-,41-37-,41-38- |
| InChIKey | PYYQVOALAPVERE-MIVUTDAYSA-N |
| Molecular Weight | 596.734 g/mol |
| SMILES | C1=2N=C(C(=C3NC(=C(CCC)C4=NC(=C(C=5NC(C2C2=CC=C(C=C2)O)=CC5)C2=CC=CC=C2)C=C4)C=C3)C=2C=CC=CC2)C=C1 |