![4-[2-(4-Fluorophenyl)ethynyl]benzaldehyde](/api/spectrum/GjXFqDATNe3/structure.png?h=300&w=458 "4-[2-(4-Fluorophenyl)ethynyl]benzaldehyde")
| SpectraBase Compound ID | 9kp4MUDRor7 |
|---|---|
| InChI | InChI=1S/C15H9FO/c16-15-9-7-13(8-10-15)2-1-12-3-5-14(11-17)6-4-12/h3-11H |
| InChIKey | FZZSEUBEUGFYRX-UHFFFAOYSA-N |
| Mol Weight | 224.23 g/mol |
| Molecular Formula | C15H9FO |
| Exact Mass | 224.063743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjXFqDATNe3 |
|---|---|
| Name | 4-[2-(4-Fluorophenyl)ethynyl]benzaldehyde |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.063743072 u |
| Formula | C15H9FO |
| InChI | InChI=1S/C15H9FO/c16-15-9-7-13(8-10-15)2-1-12-3-5-14(11-17)6-4-12/h3-11H |
| InChIKey | FZZSEUBEUGFYRX-UHFFFAOYSA-N |
| Molecular Weight | 224.234 g/mol |
| SMILES | C1=CC(C#CC2=CC=C(C=C2)C=O)=CC=C1F |