| SpectraBase Compound ID | BSPKcbKlOno |
|---|---|
| InChI | InChI=1S/C19H27F4NO/c1-3-5-6-7-8-9-11-24(10-4-2)18(25)15-12-16(19(21,22)23)14-17(20)13-15/h12-14H,3-11H2,1-2H3 |
| InChIKey | ZHAYGQAGJWCVKG-UHFFFAOYSA-N |
| Mol Weight | 361.42 g/mol |
| Molecular Formula | C19H27F4NO |
| Exact Mass | 361.202877 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bn27OchZ4qo |
|---|---|
| Name | Benzamide, 3-fluoro-5-trifluoromethyl-N-propyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 361.202877144 u |
| Formula | C19H27F4NO |
| InChI | InChI=1S/C19H27F4NO/c1-3-5-6-7-8-9-11-24(10-4-2)18(25)15-12-16(19(21,22)23)14-17(20)13-15/h12-14H,3-11H2,1-2H3 |
| InChIKey | ZHAYGQAGJWCVKG-UHFFFAOYSA-N |
| Molecular Weight | 361.425 g/mol |
| SMILES | C(N(CCC)CCCCCCCC)(=O)C=1C=C(C=C(C(F)(F)F)C1)F |