| SpectraBase Compound ID | JYbgPw4qMPA |
|---|---|
| InChI | InChI=1S/C18H11NO/c20-18(11-10-14-6-2-1-3-7-14)16-12-13-19-17-9-5-4-8-15(16)17/h1-9,12-13H |
| InChIKey | FQDRYRHRUAKQNQ-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 | 4sQF9ZQUrsd |
|---|---|
| Name | 3-Phenyl-1-(quinolin-4-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)16-12-13-19-17-9-5-4-8-15(16)17/h1-9,12-13H |
| InChIKey | FQDRYRHRUAKQNQ-UHFFFAOYSA-N |
| Molecular Weight | 257.292 g/mol |
| SMILES | C(C1=CC=NC=2C1=CC=CC2)(C#CC=1C=CC=CC1)=O |