| SpectraBase Compound ID | IlWpHsxqPDm |
|---|---|
| InChI | InChI=1S/C20H19NO5/c1-24-17-7-11-4-5-21-15(13(11)9-16(17)22)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3 |
| InChIKey | PQBLJPKMVSDAKV-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 | AHqdsFEsZtv |
|---|---|
| Name | Cerasonine |
| 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/c1-24-17-7-11-4-5-21-15(13(11)9-16(17)22)6-12-8-18(25-2)19(26-3)10-14(12)20(21)23/h6-10,22H,4-5H2,1-3H3 |
| InChIKey | PQBLJPKMVSDAKV-UHFFFAOYSA-N |
| Molecular Weight | 353.374 g/mol |
| SMILES | C1=2N(C(=O)C3=C(C2)C=C(C(OC)=C3)OC)CCC2=C1C=C(C(OC)=C2)O |