| SpectraBase Compound ID | 7juHOe38qgn |
|---|---|
| InChI | InChI=1S/C36H40N4O6/c1-8-22-19(2)27-16-32-25(13-14-41)36(5,44)33(40-32)18-28-21(4)24(10-12-35(43)46-7)31(39-28)17-30-23(9-11-34(42)45-6)20(3)26(38-30)15-29(22)37-27/h13-18,37,39,44H,8-12H2,1-7H3/b25-13+,26-15-,27-16-,28-18-,29-15-,30-17-,31-17-,32-16-,33-18- |
| InChIKey | RSXUYCMOPZXFKT-PTCQXXEXSA-N |
| Mol Weight | 624.7 g/mol |
| Molecular Formula | C36H40N4O6 |
| Exact Mass | 624.294785 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2WFKe7AlyWL |
|---|---|
| Name | 8-Ethyl-2-hydroxy-3-(2-oxoethyliden)-2,3-dihydrodeuteroporphyrin-ix-dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 624.294785018 u |
| Formula | C36H40N4O6 |
| InChI | InChI=1S/C36H40N4O6/c1-8-22-19(2)27-16-32-25(13-14-41)36(5,44)33(40-32)18-28-21(4)24(10-12-35(43)46-7)31(39-28)17-30-23(9-11-34(42)45-6)20(3)26(38-30)15-29(22)37-27/h13-18,37,39,44H,8-12H2,1-7H3/b25-13+,26-15-,27-16-,28-18-,29-15-,30-17-,31-17-,32-16-,33-18- |
| InChIKey | RSXUYCMOPZXFKT-PTCQXXEXSA-N |
| Molecular Weight | 624.738 g/mol |
| SMILES | N1C=2C(=C(C1=CC1=NC(=CC=3NC(C=C4C(=C(C(C2)=N4)CCC(=O)OC)C)=C(C3C)CC)\C(C1(C)O)=C/C=O)C)CCC(=O)OC |