| SpectraBase Compound ID | 6wwX2BNOt3D |
|---|---|
| InChI | InChI=1S/C13H7F5O2/c14-12(15,13(16,17)18)11(19)20-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | ZOXAXGWONNZLQF-UHFFFAOYSA-N |
| Mol Weight | 290.19 g/mol |
| Molecular Formula | C13H7F5O2 |
| Exact Mass | 290.03662 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BM1DzF5zXe8 |
|---|---|
| Name | Duloxetine-m (1-naphthol) P839 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.036620278 u |
| Formula | C13H7F5O2 |
| InChI | InChI=1S/C13H7F5O2/c14-12(15,13(16,17)18)11(19)20-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H |
| InChIKey | ZOXAXGWONNZLQF-UHFFFAOYSA-N |
| Molecular Weight | 290.189 g/mol |
| SMILES | C1=CC=C2C(C=CC=C2OC(=O)C(C(F)(F)F)(F)F)=C1 |