| SpectraBase Compound ID | 5XDvsYJ4HyX |
|---|---|
| InChI | InChI=1S/C16H10ClNO2/c17-14-5-3-12(4-6-14)15-9-13(16(19)20-15)8-11-2-1-7-18-10-11/h1-10H/b13-8+ |
| InChIKey | OJYPFGLLPHYPLS-MDWZMJQESA-N |
| Mol Weight | 283.71 g/mol |
| Molecular Formula | C16H10ClNO2 |
| Exact Mass | 283.040006 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2XzB6jVQVNF |
|---|---|
| Name | 5-(4-Chlorophenyl)-3-(3-pyridinylmethylene)-2(3H)-furanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.040006264 u |
| Formula | C16H10ClNO2 |
| InChI | InChI=1S/C16H10ClNO2/c17-14-5-3-12(4-6-14)15-9-13(16(19)20-15)8-11-2-1-7-18-10-11/h1-10H/b13-8+ |
| InChIKey | OJYPFGLLPHYPLS-MDWZMJQESA-N |
| SMILES | C1(\C(C=C(O1)C=1C=CC(=CC1)Cl)=C\C=1C=NC=CC1)=O |