| SpectraBase Compound ID | GfOhw3w7nKM |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-4-7-11(3)21(10-5-2)15(22)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,4-5,7,10H2,1-3H3 |
| InChIKey | WIPLHIACZCSWBC-UHFFFAOYSA-N |
| Mol Weight | 319.34 g/mol |
| Molecular Formula | C16H21F4NO |
| Exact Mass | 319.155927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5yqXo3KIhf9 |
|---|---|
| Name | Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-pentyl)-N-propyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.155926951 u |
| Formula | C16H21F4NO |
| InChI | InChI=1S/C16H21F4NO/c1-4-7-11(3)21(10-5-2)15(22)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,4-5,7,10H2,1-3H3 |
| InChIKey | WIPLHIACZCSWBC-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C(C1=C(C(=CC=C1)C(F)(F)F)F)(N(CCC)C(CCC)C)=O |