| SpectraBase Compound ID | Avv59LKapHk |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-4-5-6-7-11(2)21(3)15(22)13-10-12(16(18,19)20)8-9-14(13)17/h8-11H,4-7H2,1-3H3 |
| InChIKey | NCOZSJDSEGZYCF-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 | 3aY9jHb1DSv |
|---|---|
| Name | Benzamide, 2-fluoro-5-trifluoromethyl-N-methyl-N-(hept-2-yl)- |
| 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/c1-4-5-6-7-11(2)21(3)15(22)13-10-12(16(18,19)20)8-9-14(13)17/h8-11H,4-7H2,1-3H3 |
| InChIKey | NCOZSJDSEGZYCF-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C1=C(C=C(C(=C1)F)C(N(C)C(CCCCC)C)=O)C(F)(F)F |