| SpectraBase Compound ID | 1Zo8o5eewXt |
|---|---|
| InChI | InChI=1S/C16H11F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h1-11H/b10-9+ |
| InChIKey | IUBRFAFYCVQGIO-MDZDMXLPSA-N |
| Mol Weight | 292.26 g/mol |
| Molecular Formula | C16H11F3O2 |
| Exact Mass | 292.071114 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KtRJnN7OEQj |
|---|---|
| Name | 3-Trifluoromethylcinnamic acid, phenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 292.071114081 u |
| Formula | C16H11F3O2 |
| InChI | InChI=1S/C16H11F3O2/c17-16(18,19)13-6-4-5-12(11-13)9-10-15(20)21-14-7-2-1-3-8-14/h1-11H/b10-9+ |
| InChIKey | IUBRFAFYCVQGIO-MDZDMXLPSA-N |
| Molecular Weight | 292.257 g/mol |
| SMILES | C1(\C=C\C(OC2=CC=CC=C2)=O)=CC=CC(=C1)C(F)(F)F |