| SpectraBase Compound ID | HhGx9P6LQsm |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-3-5-7-11(4-2)10-21-15(22)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,21,22) |
| InChIKey | XOMAGQBGKAKRAF-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 | 1L1mZCfuYzw |
|---|---|
| Name | Benzamide, 3-trifluoromethyl-2-fluoro-N-(2-ethylhexyl)- |
| 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/c1-3-5-7-11(4-2)10-21-15(22)12-8-6-9-13(14(12)17)16(18,19)20/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,21,22) |
| InChIKey | XOMAGQBGKAKRAF-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C(NCC(CCCC)CC)(=O)C=1C=CC=C(C(F)(F)F)C1F |