| SpectraBase Compound ID | D6jihkdOhCo |
|---|---|
| InChI | InChI=1S/C16H15F3O2/c1-3-6-14(4-2)21-15(20)10-9-12-7-5-8-13(11-12)16(17,18)19/h5,7-11,14H,4H2,1-2H3/b10-9+ |
| InChIKey | CTKLGNPYFDQMQP-MDZDMXLPSA-N |
| Mol Weight | 296.29 g/mol |
| Molecular Formula | C16H15F3O2 |
| Exact Mass | 296.102414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CyZBoWqgJwQ |
|---|---|
| Name | Trans-3-trifluoromethylcinnamic acid, hex-4-yn-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.102414210 u |
| Formula | C16H15F3O2 |
| InChI | InChI=1S/C16H15F3O2/c1-3-6-14(4-2)21-15(20)10-9-12-7-5-8-13(11-12)16(17,18)19/h5,7-11,14H,4H2,1-2H3/b10-9+ |
| InChIKey | CTKLGNPYFDQMQP-MDZDMXLPSA-N |
| Molecular Weight | 296.289 g/mol |
| SMILES | C1=CC=C(C=C1\C=C\C(OC(CC)C#CC)=O)C(F)(F)F |