![3-{[(5-chloro-2-pyridyl)amino]methylene}-1,1,1-trifluoro-2,4-pentanedione](/api/spectrum/IehjX3Wznl4/structure.png?h=300&w=458 "3-{[(5-chloro-2-pyridyl)amino]methylene}-1,1,1-trifluoro-2,4-pentanedione")
| SpectraBase Compound ID | 2Kvdox3TBrA |
|---|---|
| InChI | InChI=1S/C11H8ClF3N2O2/c1-6(18)8(10(19)11(13,14)15)5-17-9-3-2-7(12)4-16-9/h2-5H,1H3,(H,16,17) |
| InChIKey | BSWSLZFANXAGCE-UHFFFAOYSA-N |
| Mol Weight | 292.65 g/mol |
| Molecular Formula | C11H8ClF3N2O2 |
| Exact Mass | 292.02264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IehjX3Wznl4 |
|---|---|
| Name | 3-{[(5-chloro-2-pyridyl)amino]methylene}-1,1,1-trifluoro-2,4-pentanedione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.022639693 u |
| Formula | C11H8ClF3N2O2 |
| InChI | InChI=1S/C11H8ClF3N2O2/c1-6(18)8(10(19)11(13,14)15)5-17-9-3-2-7(12)4-16-9/h2-5H,1H3,(H,16,17) |
| InChIKey | BSWSLZFANXAGCE-UHFFFAOYSA-N |
| Molecular Weight | 292.645 g/mol |
| SMILES | N(C=1N=CC(=CC1)Cl)C=C(C(C(F)(F)F)=O)C(C)=O |