| SpectraBase Compound ID | 7LYxoM4yXvZ |
|---|---|
| InChI | InChI=1S/C9H3ClF3NO2/c10-4-2-1-3-5-6(4)7(15)16-8(14-5)9(11,12)13/h1-3H |
| InChIKey | WRQMROVXEUKLCM-UHFFFAOYSA-N |
| Mol Weight | 249.58 g/mol |
| Molecular Formula | C9H3ClF3NO2 |
| Exact Mass | 248.980441 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVTeW8nTDKZ |
|---|---|
| Name | 4H-3,1-Benzoxazin-4-one, 5-chloro-2-(trifluoromethyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.980440528 u |
| Formula | C9H3ClF3NO2 |
| InChI | InChI=1S/C9H3ClF3NO2/c10-4-2-1-3-5-6(4)7(15)16-8(14-5)9(11,12)13/h1-3H |
| InChIKey | WRQMROVXEUKLCM-UHFFFAOYSA-N |
| Molecular Weight | 249.576 g/mol |
| SMILES | C=1(OC(C=2C(=CC=CC2N1)Cl)=O)C(F)(F)F |