| SpectraBase Compound ID | A6TlkHl518K |
|---|---|
| InChI | InChI=1S/C17H23F4NO/c1-4-6-7-8-22(12(3)5-2)16(23)13-9-14(17(19,20)21)11-15(18)10-13/h9-12H,4-8H2,1-3H3 |
| InChIKey | CKJXCKSTCVDUPP-UHFFFAOYSA-N |
| Mol Weight | 333.37 g/mol |
| Molecular Formula | C17H23F4NO |
| Exact Mass | 333.171577 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CdUgX9nSzW1 |
|---|---|
| Name | Benzamide, 3-fluoro-5-trifluoromethyl-N-(2-butyl)-N-pentyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.171577016 u |
| Formula | C17H23F4NO |
| InChI | InChI=1S/C17H23F4NO/c1-4-6-7-8-22(12(3)5-2)16(23)13-9-14(17(19,20)21)11-15(18)10-13/h9-12H,4-8H2,1-3H3 |
| InChIKey | CKJXCKSTCVDUPP-UHFFFAOYSA-N |
| Molecular Weight | 333.371 g/mol |
| SMILES | C(N(C(CC)C)C(=O)C=1C=C(C=C(C(F)(F)F)C1)F)CCCC |