| SpectraBase Compound ID | DMxoGATexCd |
|---|---|
| InChI | InChI=1S/C20H20N2O3/c1-4-17(23)13-9-16-19-12(10-22(16)20(24)11(13)2)8-14-15(21-19)6-5-7-18(14)25-3/h5-9,17,23H,4,10H2,1-3H3 |
| InChIKey | JNCFAGIFKYMLEO-UHFFFAOYSA-N |
| Mol Weight | 336.39 g/mol |
| Molecular Formula | C20H20N2O3 |
| Exact Mass | 336.147393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E74qERFvqNq |
|---|---|
| Name | 9-Methoxymappicine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.147392509 u |
| Formula | C20H20N2O3 |
| InChI | InChI=1S/C20H20N2O3/c1-4-17(23)13-9-16-19-12(10-22(16)20(24)11(13)2)8-14-15(21-19)6-5-7-18(14)25-3/h5-9,17,23H,4,10H2,1-3H3 |
| InChIKey | JNCFAGIFKYMLEO-UHFFFAOYSA-N |
| Molecular Weight | 336.391 g/mol |
| SMILES | C=12N(CC3=CC4=C(C=CC=C4N=C23)OC)C(C(=C(C1)C(O)CC)C)=O |