| SpectraBase Compound ID | 9scWn63RbnH |
|---|---|
| InChI | InChI=1S/C16H17F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2/b10-9+ |
| InChIKey | LJCRZYAVQZPFFP-MDZDMXLPSA-N |
| Mol Weight | 298.31 g/mol |
| Molecular Formula | C16H17F3O2 |
| Exact Mass | 298.118064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZrzEA8Q049 |
|---|---|
| Name | Cinnamic acid, 3-trifluoromethyl-, cyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.118064274 u |
| Formula | C16H17F3O2 |
| InChI | InChI=1S/C16H17F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h4-6,9-11,14H,1-3,7-8H2/b10-9+ |
| InChIKey | LJCRZYAVQZPFFP-MDZDMXLPSA-N |
| Molecular Weight | 298.305 g/mol |
| SMILES | C1(CCCCC1)OC(\C=C\C=1C=CC=C(C1)C(F)(F)F)=O |