| SpectraBase Compound ID | 5z1RKruCeuj |
|---|---|
| InChI | InChI=1S/C16H21F4NO/c1-4-6-21(7-5-11(2)3)15(22)12-8-13(16(18,19)20)10-14(17)9-12/h8-11H,4-7H2,1-3H3 |
| InChIKey | XQJPNICKXQHHNF-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 | BtyBkoAf5dd |
|---|---|
| Name | Benzamide, 3-fluoro-5-trifluoromethyl-N-propyl-N-(3-methylbutyl)- |
| 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/c1-4-6-21(7-5-11(2)3)15(22)12-8-13(16(18,19)20)10-14(17)9-12/h8-11H,4-7H2,1-3H3 |
| InChIKey | XQJPNICKXQHHNF-UHFFFAOYSA-N |
| Molecular Weight | 319.344 g/mol |
| SMILES | C(N(CCC)CCC(C)C)(=O)C=1C=C(C=C(C(F)(F)F)C1)F |