| SpectraBase Compound ID | CdFGdEqg1XM |
|---|---|
| InChI | InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45- |
| InChIKey | SCECEVNQXDMZHZ-WOXFXTDMSA-N |
| Mol Weight | 726.9 g/mol |
| Molecular Formula | C48H46N4O3 |
| Exact Mass | 726.356991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GNJNMdZICFK |
|---|---|
| Name | 5-Heptyl-10,15,20-tris(3-methoxyphenyl)porphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 726.356991354 u |
| Formula | C48H46N4O3 |
| InChI | InChI=1S/C48H46N4O3/c1-5-6-7-8-9-19-37-38-20-22-40(49-38)46(31-13-10-16-34(28-31)53-2)42-24-26-44(51-42)48(33-15-12-18-36(30-33)55-4)45-27-25-43(52-45)47(41-23-21-39(37)50-41)32-14-11-17-35(29-32)54-3/h10-18,20-30,49,52H,5-9,19H2,1-4H3/b38-37-,39-37-,46-40-,46-42-,47-41-,47-43-,48-44-,48-45- |
| InChIKey | SCECEVNQXDMZHZ-WOXFXTDMSA-N |
| Molecular Weight | 726.921 g/mol |
| SMILES | C=12N=C(C(=C3NC(=C(C=4C=C(OC)C=CC4)C4=NC(=C(C=5NC(C1C=1C=C(OC)C=CC1)=CC5)CCCCCCC)C=C4)C=C3)C=1C=C(OC)C=CC1)C=C2 |