| SpectraBase Compound ID | hglPvcOMe0 |
|---|---|
| InChI | InChI=1S/C39H48N4O6/c1-19(2)49-25(8)39-23(6)31-17-34-38(24(7)44)22(5)30(42-34)15-28-20(3)26(11-13-36(45)47-9)32(40-28)18-33-27(12-14-37(46)48-10)21(4)29(41-33)16-35(39)43-31/h15-19,24-25,41-42,44H,11-14H2,1-10H3/b28-15-,29-16-,30-15-,31-17-,32-18-,33-18-,34-17-,35-16- |
| InChIKey | ZUZNKTRSLOXZLS-AAFXTUQESA-N |
| Mol Weight | 668.8 g/mol |
| Molecular Formula | C39H48N4O6 |
| Exact Mass | 668.357385 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IDBvPssN0vI |
|---|---|
| Name | 2(4)-(1-Hydroxyethyl)-4(2)-(1-isopropoxyethyl)deuteroporphyrin dimethyl ether |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 668.357385276 u |
| Formula | C39H48N4O6 |
| InChI | InChI=1S/C39H48N4O6/c1-19(2)49-25(8)39-23(6)31-17-34-38(24(7)44)22(5)30(42-34)15-28-20(3)26(11-13-36(45)47-9)32(40-28)18-33-27(12-14-37(46)48-10)21(4)29(41-33)16-35(39)43-31/h15-19,24-25,41-42,44H,11-14H2,1-10H3/b28-15-,29-16-,30-15-,31-17-,32-18-,33-18-,34-17-,35-16- |
| InChIKey | ZUZNKTRSLOXZLS-AAFXTUQESA-N |
| SMILES | C1=2N=C(C=C3NC(=CC4=NC(=CC=5NC(C2)=C(C5C)C(O)C)C(=C4CCC(=O)OC)C)C(=C3C)CCC(=O)OC)C(=C1C)C(OC(C)C)C |