![1-[5-(4-Fluorophenyl)pyridin-3-yl]-3-phenylprop-2-yn-1-one](/api/spectrum/2uQDPWOmq5O/structure.png?h=300&w=458 "1-[5-(4-Fluorophenyl)pyridin-3-yl]-3-phenylprop-2-yn-1-one")
| SpectraBase Compound ID | KwcPNHTC2FP |
|---|---|
| InChI | InChI=1S/C20H12FNO/c21-19-9-7-16(8-10-19)17-12-18(14-22-13-17)20(23)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14H |
| InChIKey | ISQXZSOGOAIRCD-UHFFFAOYSA-N |
| Mol Weight | 301.32 g/mol |
| Molecular Formula | C20H12FNO |
| Exact Mass | 301.090292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2uQDPWOmq5O |
|---|---|
| Name | 1-[5-(4-Fluorophenyl)pyridin-3-yl]-3-phenylprop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.090292172 u |
| Formula | C20H12FNO |
| InChI | InChI=1S/C20H12FNO/c21-19-9-7-16(8-10-19)17-12-18(14-22-13-17)20(23)11-6-15-4-2-1-3-5-15/h1-5,7-10,12-14H |
| InChIKey | ISQXZSOGOAIRCD-UHFFFAOYSA-N |
| Molecular Weight | 301.320 g/mol |
| SMILES | C1(=CN=CC(=C1)C1=CC=C(C=C1)F)C(C#CC1=CC=CC=C1)=O |