| SpectraBase Compound ID | CG4yF66mfTU |
|---|---|
| InChI | InChI=1S/C12H11ClF3NO3/c1-6(2)20-11(19)10(18)17-9-5-7(12(14,15)16)3-4-8(9)13/h3-6H,1-2H3,(H,17,18) |
| InChIKey | XCZINZRHVAJQML-UHFFFAOYSA-N |
| Mol Weight | 309.67 g/mol |
| Molecular Formula | C12H11ClF3NO3 |
| Exact Mass | 309.037955 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fyl06RmJrX2 |
|---|---|
| Name | 2-Chloro-5'-trifluoromethyl-isopropoxyoxalanilide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 309.037955404 u |
| Formula | C12H11ClF3NO3 |
| InChI | InChI=1S/C12H11ClF3NO3/c1-6(2)20-11(19)10(18)17-9-5-7(12(14,15)16)3-4-8(9)13/h3-6H,1-2H3,(H,17,18) |
| InChIKey | XCZINZRHVAJQML-UHFFFAOYSA-N |
| Molecular Weight | 309.672 g/mol |
| SMILES | C(C(OC(C)C)=O)(NC1=CC(C(F)(F)F)=CC=C1Cl)=O |