| SpectraBase Compound ID | D4I8Ct7ffh |
|---|---|
| InChI | InChI=1S/C48H32N4O4/c53-47(54)34(48(55)56)27-33-28-41-44(31-17-9-3-10-18-31)39-24-23-37(50-39)42(29-13-5-1-6-14-29)35-21-22-36(49-35)43(30-15-7-2-8-16-30)38-25-26-40(51-38)45(46(33)52-41)32-19-11-4-12-20-32/h1-28,49,52H,(H,53,54)(H,55,56)/b42-35-,42-37-,43-36-,43-38-,44-39-,44-41-,45-40-,46-45- |
| InChIKey | PSNLOPPZMYOTIA-ZJXLCHQCSA-N |
| Mol Weight | 728.8 g/mol |
| Molecular Formula | C48H32N4O4 |
| Exact Mass | 728.242356 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Aj9cPC5kV1 |
|---|---|
| Name | 2-(2,2-Dihydroxycarbonylvinyl)-5,10,15,20-tetraphenylporphyrin |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 728.242355522 u |
| Formula | C48H32N4O4 |
| InChI | InChI=1S/C48H32N4O4/c53-47(54)34(48(55)56)27-33-28-41-44(31-17-9-3-10-18-31)39-24-23-37(50-39)42(29-13-5-1-6-14-29)35-21-22-36(49-35)43(30-15-7-2-8-16-30)38-25-26-40(51-38)45(46(33)52-41)32-19-11-4-12-20-32/h1-28,49,52H,(H,53,54)(H,55,56)/b42-35-,42-37-,43-36-,43-38-,44-39-,44-41-,45-40-,46-45- |
| InChIKey | PSNLOPPZMYOTIA-ZJXLCHQCSA-N |
| Molecular Weight | 728.808 g/mol |
| SMILES | C12=C(C=C(C(=O)O)C(=O)O)C=C(N2)C(=C2N=C(C(C3=CC=CC=C3)=C3NC(=C(C4=NC(=C1C1=CC=CC=C1)C=C4)C1=CC=CC=C1)C=C3)C=C2)C1=CC=CC=C1 |