| SpectraBase Compound ID | IOKIJ9q6rYP |
|---|---|
| InChI | InChI=1S/C40H38N4O2/c1-4-5-6-7-8-32-33-19-13-28(41-33)25-29-14-20-35(42-29)39(26-9-15-30(45-2)16-10-26)37-23-24-38(44-37)40(36-22-21-34(32)43-36)27-11-17-31(46-3)18-12-27/h9-25,41,44H,4-8H2,1-3H3/b28-25-,29-25-,33-32-,34-32-,39-35-,39-37-,40-36-,40-38- |
| InChIKey | CFVBNVMWWMQZRJ-HLJDJVGRSA-N |
| Mol Weight | 606.8 g/mol |
| Molecular Formula | C40H38N4O2 |
| Exact Mass | 606.299476 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2nu2bmVv3jZ |
|---|---|
| Name | 10-Hexyl-5,20-bis(4-methoxyphenyl)porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 606.299476478 u |
| Formula | C40H38N4O2 |
| InChI | InChI=1S/C40H38N4O2/c1-4-5-6-7-8-32-33-19-13-28(41-33)25-29-14-20-35(42-29)39(26-9-15-30(45-2)16-10-26)37-23-24-38(44-37)40(36-22-21-34(32)43-36)27-11-17-31(46-3)18-12-27/h9-25,41,44H,4-8H2,1-3H3/b28-25-,29-25-,33-32-,34-32-,39-35-,39-37-,40-36-,40-38- |
| InChIKey | CFVBNVMWWMQZRJ-HLJDJVGRSA-N |
| Molecular Weight | 606.770 g/mol |
| SMILES | C1=2N=C(C(=C3NC(=CC4=NC(=C(C=5NC(C2C=2C=CC(=CC2)OC)=CC5)C2=CC=C(C=C2)OC)C=C4)C=C3)CCCCCC)C=C1 |