| SpectraBase Compound ID | 9eKy8x2oIaD |
|---|---|
| InChI | InChI=1S/C13H8F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8H |
| InChIKey | KUCXNAXAAXKXGV-UHFFFAOYSA-N |
| Mol Weight | 251.21 g/mol |
| Molecular Formula | C13H8F3NO |
| Exact Mass | 251.055798 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2awoa7KO1D4 |
|---|---|
| Name | 3-(4-Trifluoromethylbenzoyl)pyridine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 251.055798370 u |
| Formula | C13H8F3NO |
| InChI | InChI=1S/C13H8F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8H |
| InChIKey | KUCXNAXAAXKXGV-UHFFFAOYSA-N |
| Molecular Weight | 251.208 g/mol |
| SMILES | C(C=1C=CC(C(C=2C=NC=CC2)=O)=CC1)(F)(F)F |