| SpectraBase Compound ID | EdfInb4nNDf |
|---|---|
| InChI | InChI=1S/C9H7F3N2O/c10-9(11,12)7(15)4-6-14-8-3-1-2-5-13-8/h1-6H,(H,13,14)/b6-4+ |
| InChIKey | BMFLKKKITKQHIR-GQCTYLIASA-N |
| Mol Weight | 216.16 g/mol |
| Molecular Formula | C9H7F3N2O |
| Exact Mass | 216.051047 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6BKZPb01209 |
|---|---|
| Name | 3-Buten-2-one, 1,1,1-trifluoro-4-(2-pyridylamino)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.051047341 u |
| Formula | C9H7F3N2O |
| InChI | InChI=1S/C9H7F3N2O/c10-9(11,12)7(15)4-6-14-8-3-1-2-5-13-8/h1-6H,(H,13,14)/b6-4+ |
| InChIKey | BMFLKKKITKQHIR-GQCTYLIASA-N |
| Molecular Weight | 216.163 g/mol |
| SMILES | C(C(\C=C\NC=1N=CC=CC1)=O)(F)(F)F |