| SpectraBase Compound ID | IP9EDgv8HSM |
|---|---|
| InChI | InChI=1S/C16H10F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10H,1H3 |
| InChIKey | YCGXCXBFJSBOMP-UHFFFAOYSA-N |
| Mol Weight | 256.25 g/mol |
| Molecular Formula | C16H10F2O |
| Exact Mass | 256.069971 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1NN5kTnGe16 |
|---|---|
| Name | 1-(2,5-Difluorophenyl)-3-(4-tolyl)prop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.069971267 u |
| Formula | C16H10F2O |
| InChI | InChI=1S/C16H10F2O/c1-11-2-4-12(5-3-11)6-9-16(19)14-10-13(17)7-8-15(14)18/h2-5,7-8,10H,1H3 |
| InChIKey | YCGXCXBFJSBOMP-UHFFFAOYSA-N |
| Molecular Weight | 256.252 g/mol |
| SMILES | C(#CC=1C=CC(=CC1)C)C(C1=C(C=CC(=C1)F)F)=O |