| SpectraBase Compound ID | J9frsncWnnX |
|---|---|
| InChI | InChI=1S/C18H11NO/c20-18(11-10-14-6-2-1-3-7-14)16-12-15-8-4-5-9-17(15)19-13-16/h1-9,12-13H |
| InChIKey | QSCSWXWSTHFEPZ-UHFFFAOYSA-N |
| Mol Weight | 257.29 g/mol |
| Molecular Formula | C18H11NO |
| Exact Mass | 257.084064 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4Rmzv34tKrv |
|---|---|
| Name | 3-Phenyl-1-(quinolin-3-yl)prop-2-yn-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.084063977 u |
| Formula | C18H11NO |
| InChI | InChI=1S/C18H11NO/c20-18(11-10-14-6-2-1-3-7-14)16-12-15-8-4-5-9-17(15)19-13-16/h1-9,12-13H |
| InChIKey | QSCSWXWSTHFEPZ-UHFFFAOYSA-N |
| Molecular Weight | 257.292 g/mol |
| SMILES | C1(=CN=C2C(=C1)C=CC=C2)C(=O)C#CC1=CC=CC=C1 |