| SpectraBase Compound ID | 6eTHeoxsjcA |
|---|---|
| InChI | InChI=1S/C13H16F3NO/c1-9(2)7-8-17-12(18)10-3-5-11(6-4-10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18) |
| InChIKey | XQBHGRUTEQHMTD-UHFFFAOYSA-N |
| Mol Weight | 259.27 g/mol |
| Molecular Formula | C13H16F3NO |
| Exact Mass | 259.118399 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HDjlAnIqnO |
|---|---|
| Name | Benzamide, 4-(trifluoromethyl)-N-3-methylbutyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 259.118398627 u |
| Formula | C13H16F3NO |
| InChI | InChI=1S/C13H16F3NO/c1-9(2)7-8-17-12(18)10-3-5-11(6-4-10)13(14,15)16/h3-6,9H,7-8H2,1-2H3,(H,17,18) |
| InChIKey | XQBHGRUTEQHMTD-UHFFFAOYSA-N |
| Molecular Weight | 259.272 g/mol |
| SMILES | C(NCCC(C)C)(=O)C=1C=CC(=CC1)C(F)(F)F |