| SpectraBase Compound ID | K0VwikmB0jC |
|---|---|
| InChI | InChI=1S/C34H40N4O2/c1-8-21-17(3)26-14-28-20(6)24(12-13-32(39)40-7)34(37-28)25-11-10-23-19(5)29(38-33(23)25)16-31-22(9-2)18(4)27(36-31)15-30(21)35-26/h14-16,20,24,35,38H,8-13H2,1-7H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,34-25-/t20-,24-/m0/s1 |
| InChIKey | YFAKCOVYSQPHGF-ZMQQJQBBSA-N |
| Mol Weight | 536.7 g/mol |
| Molecular Formula | C34H40N4O2 |
| Exact Mass | 536.315127 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HzLH7M8wwKR |
|---|---|
| Name | Methyl 9-desoxomesopyropheophorbide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 536.315126542 u |
| Formula | C34H40N4O2 |
| InChI | InChI=1S/C34H40N4O2/c1-8-21-17(3)26-14-28-20(6)24(12-13-32(39)40-7)34(37-28)25-11-10-23-19(5)29(38-33(23)25)16-31-22(9-2)18(4)27(36-31)15-30(21)35-26/h14-16,20,24,35,38H,8-13H2,1-7H3/b26-14-,27-15-,28-14-,29-16-,30-15-,31-16-,34-25-/t20-,24-/m0/s1 |
| InChIKey | YFAKCOVYSQPHGF-ZMQQJQBBSA-N |
| Molecular Weight | 536.720 g/mol |
| SMILES | C=12C3=C4N=C(C=C5NC(=CC6=NC(=CC(N2)=C(C1CC3)C)C(=C6C)CC)C(=C5C)CC)[C@]([C@@]4(CCC(=O)OC)[H])(C)[H] |