| SpectraBase Compound ID | 8KVes3fWW21 |
|---|---|
| InChI | InChI=1S/C20H19NO5/c1-22-16-8-12-6-7-21-19(14(12)10-17(16)23-2)20(24-3)13-4-5-15-18(9-13)26-11-25-15/h4-10,20H,11H2,1-3H3 |
| InChIKey | UZTFBGXIIOSHFC-UHFFFAOYSA-N |
| Mol Weight | 353.37 g/mol |
| Molecular Formula | C20H19NO5 |
| Exact Mass | 353.126323 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1kz9DHEjW4q |
|---|---|
| Name | Setigeridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 353.126322711 u |
| Formula | C20H19NO5 |
| InChI | InChI=1S/C20H19NO5/c1-22-16-8-12-6-7-21-19(14(12)10-17(16)23-2)20(24-3)13-4-5-15-18(9-13)26-11-25-15/h4-10,20H,11H2,1-3H3 |
| InChIKey | UZTFBGXIIOSHFC-UHFFFAOYSA-N |
| Molecular Weight | 353.374 g/mol |
| SMILES | C=1(C=2C=C(OC)C(=CC2C=CN1)OC)C(C=1C=C2OCOC2=CC1)OC |