| SpectraBase Compound ID | hulhrulxpl |
|---|---|
| InChI | InChI=1S/C21H28F3NO/c1-4-7-9-17(6-3)16-25(14-5-2)20(26)13-12-18-10-8-11-19(15-18)21(22,23)24/h5,8,10-13,15,17H,2,4,6-7,9,14,16H2,1,3H3/b13-12+ |
| InChIKey | DZDNPUHQJPIHIH-OUKQBFOZSA-N |
| Mol Weight | 367.46 g/mol |
| Molecular Formula | C21H28F3NO |
| Exact Mass | 367.212299 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7DZxolAmTyS |
|---|---|
| Name | Trans-cinnamamide, 3-trifluoromethyl-N-allyl-N-(2-ethylhexyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.212299014 u |
| Formula | C21H28F3NO |
| InChI | InChI=1S/C21H28F3NO/c1-4-7-9-17(6-3)16-25(14-5-2)20(26)13-12-18-10-8-11-19(15-18)21(22,23)24/h5,8,10-13,15,17H,2,4,6-7,9,14,16H2,1,3H3/b13-12+ |
| InChIKey | DZDNPUHQJPIHIH-OUKQBFOZSA-N |
| Molecular Weight | 367.456 g/mol |
| SMILES | C(N(CC(CCCC)CC)CC=C)(=O)\C=C\C1=CC=CC(=C1)C(F)(F)F |