| SpectraBase Compound ID | 7UVFHHutdiT |
|---|---|
| InChI | InChI=1S/C34H34N4O2/c1-4-5-6-7-8-29-30-13-9-23(35-30)19-25-11-15-32(37-25)34(22-17-27(39-2)21-28(18-22)40-3)33-16-12-26(38-33)20-24-10-14-31(29)36-24/h9-21,35,38H,4-8H2,1-3H3/b23-19-,24-20-,25-19-,26-20-,30-29-,31-29-,34-32-,34-33- |
| InChIKey | OYPFPENKAKSBNB-VDDRQSRTSA-N |
| Mol Weight | 530.7 g/mol |
| Molecular Formula | C34H34N4O2 |
| Exact Mass | 530.268176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 77UbRlHyKbu |
|---|---|
| Name | 5-(3,5-Dimethoxyphenyl)-15-hexylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 530.268176349 u |
| Formula | C34H34N4O2 |
| InChI | InChI=1S/C34H34N4O2/c1-4-5-6-7-8-29-30-13-9-23(35-30)19-25-11-15-32(37-25)34(22-17-27(39-2)21-28(18-22)40-3)33-16-12-26(38-33)20-24-10-14-31(29)36-24/h9-21,35,38H,4-8H2,1-3H3/b23-19-,24-20-,25-19-,26-20-,30-29-,31-29-,34-32-,34-33- |
| InChIKey | OYPFPENKAKSBNB-VDDRQSRTSA-N |
| Molecular Weight | 530.672 g/mol |
| SMILES | C12=C(C=3NC(C=C4N=C(C(=C5NC(=CC(=N2)C=C1)C=C5)CCCCCC)C=C4)=CC3)C1=CC(OC)=CC(=C1)OC |