| SpectraBase Compound ID | HDqbW8SoPlK |
|---|---|
| InChI | InChI=1S/C17H13NO2/c1-12-4-6-14(7-5-12)16-10-15(17(19)20-16)9-13-3-2-8-18-11-13/h2-11H,1H3/b15-9+ |
| InChIKey | AKXOHSBRTOOCQD-OQLLNIDSSA-N |
| Mol Weight | 263.3 g/mol |
| Molecular Formula | C17H13NO2 |
| Exact Mass | 263.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BwLVh3kFloD |
|---|---|
| Name | (3E)-5-(4-Methylphenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 263.094628661 u |
| Formula | C17H13NO2 |
| InChI | InChI=1S/C17H13NO2/c1-12-4-6-14(7-5-12)16-10-15(17(19)20-16)9-13-3-2-8-18-11-13/h2-11H,1H3/b15-9+ |
| InChIKey | AKXOHSBRTOOCQD-OQLLNIDSSA-N |
| Molecular Weight | 263.296 g/mol |
| SMILES | C1(\C(C=C(O1)C=1C=CC(=CC1)C)=C\C1=CN=CC=C1)=O |