| SpectraBase Compound ID | Cf9AXGVaoyN |
|---|---|
| InChI | InChI=1S/C16H22F3NO/c1-4-8-12(3)20(11-5-2)15(21)13-9-6-7-10-14(13)16(17,18)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | ONCKDVTZXQNKHP-UHFFFAOYSA-N |
| Mol Weight | 301.35 g/mol |
| Molecular Formula | C16H22F3NO |
| Exact Mass | 301.165349 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CSsQCIBeEsg |
|---|---|
| Name | Benzamide, 2-trifluoromethyl-N-(2-pentyl)-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.165348820 u |
| Formula | C16H22F3NO |
| InChI | InChI=1S/C16H22F3NO/c1-4-8-12(3)20(11-5-2)15(21)13-9-6-7-10-14(13)16(17,18)19/h6-7,9-10,12H,4-5,8,11H2,1-3H3 |
| InChIKey | ONCKDVTZXQNKHP-UHFFFAOYSA-N |
| Molecular Weight | 301.353 g/mol |
| SMILES | C(N(C(CCC)C)C(=O)C=1C(C(F)(F)F)=CC=CC1)CC |