| SpectraBase Compound ID | 4rltH2nS4po |
|---|---|
| InChI | InChI=1S/C44H38N4O/c1-2-3-4-11-19-33-34-20-22-36(45-34)42(29-13-7-5-8-14-29)38-24-26-40(47-38)44(31-17-12-18-32(49)28-31)41-27-25-39(48-41)43(30-15-9-6-10-16-30)37-23-21-35(33)46-37/h5-10,12-18,20-28,45,48-49H,2-4,11,19H2,1H3/b34-33-,35-33-,42-36-,42-38-,43-37-,43-39-,44-40-,44-41- |
| InChIKey | CIQQFBCBQMFWDQ-UDYGMXFRSA-N |
| Mol Weight | 638.8 g/mol |
| Molecular Formula | C44H38N4O |
| Exact Mass | 638.304562 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1or7eV0ZAl6 |
|---|---|
| Name | 5-Hexyl-15-(3-hydroxyphenyl)-10,20-diphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 638.304561859 u |
| Formula | C44H38N4O |
| InChI | InChI=1S/C44H38N4O/c1-2-3-4-11-19-33-34-20-22-36(45-34)42(29-13-7-5-8-14-29)38-24-26-40(47-38)44(31-17-12-18-32(49)28-31)41-27-25-39(48-41)43(30-15-9-6-10-16-30)37-23-21-35(33)46-37/h5-10,12-18,20-28,45,48-49H,2-4,11,19H2,1H3/b34-33-,35-33-,42-36-,42-38-,43-37-,43-39-,44-40-,44-41- |
| InChIKey | CIQQFBCBQMFWDQ-UDYGMXFRSA-N |
| Molecular Weight | 638.815 g/mol |
| SMILES | C=12N=C(C(=C3NC(=C(C=4C=CC=CC4)C4=NC(=C(C=5NC(C1C1=CC=CC=C1)=CC5)CCCCCC)C=C4)C=C3)C=1C=C(O)C=CC1)C=C2 |