| SpectraBase Compound ID | 3Bv8FMU6BqI |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-5-11(4)21(9-10(2)3)15(22)12-6-13(16(18,19)20)8-14(17)7-12/h6-8,10-11H,5,9H2,1-4H3 |
| InChIKey | VLRFWHWHSGTHIF-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 | 2PfIzqguY9E |
|---|---|
| Name | Benzamide, 3-fluoro-5-trifluoromethyl-N-(2-butyl)-N-isobutyl- |
| 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/c1-5-11(4)21(9-10(2)3)15(22)12-6-13(16(18,19)20)8-14(17)7-12/h6-8,10-11H,5,9H2,1-4H3 |
| InChIKey | VLRFWHWHSGTHIF-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C(N(C(CC)C)C(=O)C=1C=C(C=C(C(F)(F)F)C1)F)C(C)C |