![5-Methyl-N-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide](/api/spectrum/4EW7UDQlu7M/structure.png?h=300&w=458 "5-Methyl-N-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide")
| SpectraBase Compound ID | 5sseP6tTYG3 |
|---|---|
| InChI | InChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18) |
| InChIKey | OVBQZMCOZUJNCE-UHFFFAOYSA-N |
| Mol Weight | 270.21 g/mol |
| Molecular Formula | C12H9F3N2O2 |
| Exact Mass | 270.061612 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4EW7UDQlu7M |
|---|---|
| Name | 5-Methyl-N-[2-(trifluoromethyl)phenyl]-3-isoxazolecarboxamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.061612025 u |
| Formula | C12H9F3N2O2 |
| InChI | InChI=1S/C12H9F3N2O2/c1-7-6-10(17-19-7)11(18)16-9-5-3-2-4-8(9)12(13,14)15/h2-6H,1H3,(H,16,18) |
| InChIKey | OVBQZMCOZUJNCE-UHFFFAOYSA-N |
| Molecular Weight | 270.211 g/mol |
| SMILES | C(F)(F)(F)C1=C(C=CC=C1)NC(=O)C1=NOC(=C1)C |