| SpectraBase Compound ID | 7uS6CwRaM0x |
|---|---|
| InChI | InChI=1S/C20H19NO5/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | ZAALQOFZFANFTF-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 | EnbgHrnKAfN |
|---|---|
| Name | Pseudoprotopine |
| 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/c1-21-3-2-12-5-17-20(26-11-23-17)8-15(12)16(22)4-13-6-18-19(25-10-24-18)7-14(13)9-21/h5-8H,2-4,9-11H2,1H3 |
| InChIKey | ZAALQOFZFANFTF-UHFFFAOYSA-N |
| Molecular Weight | 353.374 g/mol |
| SMILES | C1N(CCC2=C(C(CC3=C1C=C1OCOC1=C3)=O)C=C1OCOC1=C2)C |