| SpectraBase Compound ID | 16lYWUxmLFo |
|---|---|
| InChI | InChI=1S/C9H7NO/c1-8(11)2-3-9-4-6-10-7-5-9/h4-7H,1H3 |
| InChIKey | PREWLXZTKBBQHJ-UHFFFAOYSA-N |
| Mol Weight | 145.16 g/mol |
| Molecular Formula | C9H7NO |
| Exact Mass | 145.052764 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1H1le8dGChE |
|---|---|
| Name | 4-(4-Pyridinyl)-3-butyn-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 145.052763848 u |
| Formula | C9H7NO |
| InChI | InChI=1S/C9H7NO/c1-8(11)2-3-9-4-6-10-7-5-9/h4-7H,1H3 |
| InChIKey | PREWLXZTKBBQHJ-UHFFFAOYSA-N |
| Molecular Weight | 145.161 g/mol |
| SMILES | C(#CC1=CC=NC=C1)C(=O)C |