| SpectraBase Compound ID | A9pYTimAPhU |
|---|---|
| InChI | InChI=1S/C9H3F4NO2/c10-4-2-1-3-5-6(4)7(15)16-8(14-5)9(11,12)13/h1-3H |
| InChIKey | RQMSMNJSALLHIQ-UHFFFAOYSA-N |
| Mol Weight | 233.12 g/mol |
| Molecular Formula | C9H3F4NO2 |
| Exact Mass | 233.009991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bk4nPYFKuc6 |
|---|---|
| Name | 2,4-Benzoxazin-1-one, 8-fluoro-3-trifluoromethyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 233.009990991 u |
| Formula | C9H3F4NO2 |
| InChI | InChI=1S/C9H3F4NO2/c10-4-2-1-3-5-6(4)7(15)16-8(14-5)9(11,12)13/h1-3H |
| InChIKey | RQMSMNJSALLHIQ-UHFFFAOYSA-N |
| Molecular Weight | 233.122 g/mol |
| SMILES | C1=CC=C2C(=C1F)C(=O)OC(=N2)C(F)(F)F |