| SpectraBase Compound ID | EPORGvAhtFr |
|---|---|
| InChI | InChI=1S/C13H10Cl2O3/c14-7-4-5-8(9(15)6-7)13(18)12-10(16)2-1-3-11(12)17/h4-6,16H,1-3H2 |
| InChIKey | UWOIHWCQRICTIF-UHFFFAOYSA-N |
| Mol Weight | 285.13 g/mol |
| Molecular Formula | C13H10Cl2O3 |
| Exact Mass | 284.0007 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K3UXrHzYmjA |
|---|---|
| Name | 2-Cyclohexen-1-one, 2-(2,4-dichlorobenzoyl)-3-hydroxy- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.000699579 u |
| Formula | C13H10Cl2O3 |
| InChI | InChI=1S/C13H10Cl2O3/c14-7-4-5-8(9(15)6-7)13(18)12-10(16)2-1-3-11(12)17/h4-6,16H,1-3H2 |
| InChIKey | UWOIHWCQRICTIF-UHFFFAOYSA-N |
| SMILES | OC1=C(C(CCC1)=O)C(=O)C1=C(C=C(C=C1)Cl)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.936023 |