![1-{4-[2-(2-Trifluoromethylphenyl)ethynyl]phenyl}ethanone](/api/spectrum/5Ba3aIXCCKp/structure.png?h=300&w=458 "1-{4-[2-(2-Trifluoromethylphenyl)ethynyl]phenyl}ethanone")
| SpectraBase Compound ID | 6sp38J1oA1n |
|---|---|
| InChI | InChI=1S/C17H11F3O/c1-12(21)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)17(18,19)20/h2-7,9-10H,1H3 |
| InChIKey | FTDBNQRRFMWUFB-UHFFFAOYSA-N |
| Mol Weight | 288.27 g/mol |
| Molecular Formula | C17H11F3O |
| Exact Mass | 288.076199 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5Ba3aIXCCKp |
|---|---|
| Name | 1-{4-[2-(2-Trifluoromethylphenyl)ethynyl]phenyl}ethanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 288.076199462 u |
| Formula | C17H11F3O |
| InChI | InChI=1S/C17H11F3O/c1-12(21)14-9-6-13(7-10-14)8-11-15-4-2-3-5-16(15)17(18,19)20/h2-7,9-10H,1H3 |
| InChIKey | FTDBNQRRFMWUFB-UHFFFAOYSA-N |
| Molecular Weight | 288.269 g/mol |
| SMILES | C(C)(C=1C=CC(=CC1)C#CC=1C(=CC=CC1)C(F)(F)F)=O |