| SpectraBase Compound ID | AO9yfJNtJ2I |
|---|---|
| InChI | InChI=1S/C13H8Cl2F3NO/c14-10-2-1-3-11(15)9(10)7-19-6-8(13(16,17)18)4-5-12(19)20/h1-6H,7H2 |
| InChIKey | CEOYOMVEWKDWMR-UHFFFAOYSA-N |
| Mol Weight | 322.11 g/mol |
| Molecular Formula | C13H8Cl2F3NO |
| Exact Mass | 320.993504 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ZBg5bwJCit |
|---|---|
| Name | 1-(2,6-Dichlorobenzyl)-5-(trifluoromethyl)-2(1H)-pyridone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 320.993503770 u |
| Formula | C13H8Cl2F3NO |
| InChI | InChI=1S/C13H8Cl2F3NO/c14-10-2-1-3-11(15)9(10)7-19-6-8(13(16,17)18)4-5-12(19)20/h1-6H,7H2 |
| InChIKey | CEOYOMVEWKDWMR-UHFFFAOYSA-N |
| Molecular Weight | 322.114 g/mol |
| SMILES | C(N1C=C(C=CC1=O)C(F)(F)F)C1=C(Cl)C=CC=C1Cl |