| SpectraBase Compound ID | JJtDpyLw7aI |
|---|---|
| InChI | InChI=1S/C19H21NO6/c1-11(21)24-10-19(3,26-12(2)22)16-9-14-17(23-4)13-7-5-6-8-15(13)20-18(14)25-16/h5-8,16H,9-10H2,1-4H3 |
| InChIKey | FIVFVHJYDCJDMU-UHFFFAOYSA-N |
| Mol Weight | 359.38 g/mol |
| Molecular Formula | C19H21NO6 |
| Exact Mass | 359.136887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8fwcYnYDLcv |
|---|---|
| Name | Dubinidine, diacetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 359.136887394 u |
| Formula | C19H21NO6 |
| InChI | InChI=1S/C19H21NO6/c1-11(21)24-10-19(3,26-12(2)22)16-9-14-17(23-4)13-7-5-6-8-15(13)20-18(14)25-16/h5-8,16H,9-10H2,1-4H3 |
| InChIKey | FIVFVHJYDCJDMU-UHFFFAOYSA-N |
| Molecular Weight | 359.378 g/mol |
| SMILES | COC1=C2C(=NC=3OC(C(OC(=O)C)(COC(=O)C)C)CC13)C=CC=C2 |