| SpectraBase Compound ID | 3VLQ05NR5eq |
|---|---|
| InChI | InChI=1S/C14H17F4NO/c1-4-5-9(2)19(3)13(20)11-8-10(14(16,17)18)6-7-12(11)15/h6-9H,4-5H2,1-3H3 |
| InChIKey | XWMSVFJIZAVKQV-UHFFFAOYSA-N |
| Mol Weight | 291.29 g/mol |
| Molecular Formula | C14H17F4NO |
| Exact Mass | 291.124627 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HpLyix7yEv3 |
|---|---|
| Name | Benzamide, 2-fluoro-5-trifluoromethyl-N-(2-pentyl)-N-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.124626822 u |
| Formula | C14H17F4NO |
| InChI | InChI=1S/C14H17F4NO/c1-4-5-9(2)19(3)13(20)11-8-10(14(16,17)18)6-7-12(11)15/h6-9H,4-5H2,1-3H3 |
| InChIKey | XWMSVFJIZAVKQV-UHFFFAOYSA-N |
| Molecular Weight | 291.290 g/mol |
| SMILES | C(C1=C(C=CC(=C1)C(F)(F)F)F)(N(C)C(CCC)C)=O |