| SpectraBase Compound ID | 4o3u2VUrrE7 |
|---|---|
| InChI | InChI=1S/C18H18F3NO/c1-2-12-22(13-14-8-4-3-5-9-14)17(23)15-10-6-7-11-16(15)18(19,20)21/h3-11H,2,12-13H2,1H3 |
| InChIKey | AYTNQKXEFKRNET-UHFFFAOYSA-N |
| Mol Weight | 321.34 g/mol |
| Molecular Formula | C18H18F3NO |
| Exact Mass | 321.134049 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e1llVvcZLO |
|---|---|
| Name | Benzamide, 2-trifluoromethyl-N-benzyl-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 321.134048692 u |
| Formula | C18H18F3NO |
| InChI | InChI=1S/C18H18F3NO/c1-2-12-22(13-14-8-4-3-5-9-14)17(23)15-10-6-7-11-16(15)18(19,20)21/h3-11H,2,12-13H2,1H3 |
| InChIKey | AYTNQKXEFKRNET-UHFFFAOYSA-N |
| Molecular Weight | 321.343 g/mol |
| SMILES | C(N(CCC)CC1=CC=CC=C1)(=O)C=1C(C(F)(F)F)=CC=CC1 |