| SpectraBase Compound ID | IscbGVo0731 |
|---|---|
| InChI | InChI=1S/C14H17F4NO/c1-3-4-5-9-19(2)13(20)10-7-6-8-11(12(10)15)14(16,17)18/h6-8H,3-5,9H2,1-2H3 |
| InChIKey | VYENWZDZHJXYHY-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 | 5ShNHPcSAGS |
|---|---|
| Name | Benzamide, 2-fluoro-3-trifluoromethyl-N-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/c1-3-4-5-9-19(2)13(20)10-7-6-8-11(12(10)15)14(16,17)18/h6-8H,3-5,9H2,1-2H3 |
| InChIKey | VYENWZDZHJXYHY-UHFFFAOYSA-N |
| Molecular Weight | 291.290 g/mol |
| SMILES | C1=CC=C(C(=C1C(=O)N(CCCCC)C)F)C(F)(F)F |