| SpectraBase Compound ID | 3rn9bW6bYDu |
|---|---|
| InChI | InChI=1S/C47H44N4O3/c1-5-6-7-8-18-36-37-19-21-39(48-37)45(30-12-9-15-33(27-30)52-2)41-23-25-43(50-41)47(32-14-11-17-35(29-32)54-4)44-26-24-42(51-44)46(40-22-20-38(36)49-40)31-13-10-16-34(28-31)53-3/h9-17,19-29,48,51H,5-8,18H2,1-4H3/b37-36-,38-36-,45-39-,45-41-,46-40-,46-42-,47-43-,47-44- |
| InChIKey | WTWQPTQYHLLXAU-YBSLVAGYSA-N |
| Mol Weight | 712.9 g/mol |
| Molecular Formula | C47H44N4O3 |
| Exact Mass | 712.341341 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | L3gEgqPSGsf |
|---|---|
| Name | 5-Hexyl-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 | 712.341341290 u |
| Formula | C47H44N4O3 |
| InChI | InChI=1S/C47H44N4O3/c1-5-6-7-8-18-36-37-19-21-39(48-37)45(30-12-9-15-33(27-30)52-2)41-23-25-43(50-41)47(32-14-11-17-35(29-32)54-4)44-26-24-42(51-44)46(40-22-20-38(36)49-40)31-13-10-16-34(28-31)53-3/h9-17,19-29,48,51H,5-8,18H2,1-4H3/b37-36-,38-36-,45-39-,45-41-,46-40-,46-42-,47-43-,47-44- |
| InChIKey | WTWQPTQYHLLXAU-YBSLVAGYSA-N |
| 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)CCCCCC)C=C4)C=C3)C=1C=C(OC)C=CC1)C=C2 |