| SpectraBase Compound ID | Gc6VuoH9NE5 |
|---|---|
| InChI | InChI=1S/C12H12F3NO2/c1-2-3-10(17)16-11(18)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17,18) |
| InChIKey | PVUARUDOMVOXRT-UHFFFAOYSA-N |
| Mol Weight | 259.23 g/mol |
| Molecular Formula | C12H12F3NO2 |
| Exact Mass | 259.082013 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 46IY8tCuMuO |
|---|---|
| Name | N-Butyryl-(4-trifluoromethyl)benzamide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.082013117 u |
| Formula | C12H12F3NO2 |
| InChI | InChI=1S/C12H12F3NO2/c1-2-3-10(17)16-11(18)8-4-6-9(7-5-8)12(13,14)15/h4-7H,2-3H2,1H3,(H,16,17,18) |
| InChIKey | PVUARUDOMVOXRT-UHFFFAOYSA-N |
| Molecular Weight | 259.228 g/mol |
| SMILES | C(C1=CC=C(C(NC(=O)CCC)=O)C=C1)(F)(F)F |