| SpectraBase Compound ID | 8tqYxtVP1hl |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-4-6-10-21(11(3)5-2)15(22)12-8-7-9-13(14(12)17)16(18,19)20/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | OCWNXISQMSPKRX-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 | A1ls3gZpdUF |
|---|---|
| Name | Benzamide, 2-fluoro-3-trifluoromethyl-N-(2-butyl)-N-butyl- |
| 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/c1-4-6-10-21(11(3)5-2)15(22)12-8-7-9-13(14(12)17)16(18,19)20/h7-9,11H,4-6,10H2,1-3H3 |
| InChIKey | OCWNXISQMSPKRX-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C(N(CCCC)C(CC)C)(=O)C=1C(F)=C(C=CC1)C(F)(F)F |