| SpectraBase Compound ID | 1YeTl26oYQ8 |
|---|---|
| InChI | InChI=1S/C14H9NO/c16-14(13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | WLBHZAZBHMCSHM-UHFFFAOYSA-N |
| Mol Weight | 207.23 g/mol |
| Molecular Formula | C14H9NO |
| Exact Mass | 207.068414 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCMNwEHVD23 |
|---|---|
| Name | 3-Phenyl-1-(pyridin-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 | 207.068413913 u |
| Formula | C14H9NO |
| InChI | InChI=1S/C14H9NO/c16-14(13-8-10-15-11-9-13)7-6-12-4-2-1-3-5-12/h1-5,8-11H |
| InChIKey | WLBHZAZBHMCSHM-UHFFFAOYSA-N |
| Molecular Weight | 207.232 g/mol |
| SMILES | C=1(C=CN=CC1)C(=O)C#CC1=CC=CC=C1 |