| SpectraBase Compound ID | 8HprZb2OldH |
|---|---|
| InChI | InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- |
| InChIKey | HHDUMDVQUCBCEY-LWQDQPMZSA-N |
| Mol Weight | 790.8 g/mol |
| Molecular Formula | C48H30N4O8 |
| Exact Mass | 790.206364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DA28t9R6wX2 |
|---|---|
| Name | Meso-tetraphenylporphine-4,4',4'',4'''-tetracarboxylic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 790.206363934 u |
| Formula | C48H30N4O8 |
| InChI | InChI=1S/C48H30N4O8/c53-45(54)29-9-1-25(2-10-29)41-33-17-19-35(49-33)42(26-3-11-30(12-4-26)46(55)56)37-21-23-39(51-37)44(28-7-15-32(16-8-28)48(59)60)40-24-22-38(52-40)43(36-20-18-34(41)50-36)27-5-13-31(14-6-27)47(57)58/h1-24,49,52H,(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b41-33-,41-34-,42-35-,42-37-,43-36-,43-38-,44-39-,44-40- |
| InChIKey | HHDUMDVQUCBCEY-LWQDQPMZSA-N |
| Molecular Weight | 790.788 g/mol |
| SMILES | N1C2=CC=C1C(C=1C=CC(C(=O)O)=CC1)=C1N=C(C(=C3C=CC(=C(C4=NC(=C2C=2C=CC(=CC2)C(O)=O)C=C4)C=2C=CC(=CC2)C(O)=O)N3)C=2C=CC(=CC2)C(O)=O)C=C1 |