| SpectraBase Compound ID | FbDGxdZgNXC |
|---|---|
| InChI | InChI=1S/C9H8Cl2O2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3 |
| InChIKey | MQYQBKDURLWQTF-UHFFFAOYSA-N |
| Mol Weight | 219.07 g/mol |
| Molecular Formula | C9H8Cl2O2 |
| Exact Mass | 217.990135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GOYtNx94AYY |
|---|---|
| Name | 1-(2,4-Dichlorophenoxy)-2-propanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 217.990134896 u |
| Formula | C9H8Cl2O2 |
| InChI | InChI=1S/C9H8Cl2O2/c1-6(12)5-13-9-3-2-7(10)4-8(9)11/h2-4H,5H2,1H3 |
| InChIKey | MQYQBKDURLWQTF-UHFFFAOYSA-N |
| Molecular Weight | 219.067 g/mol |
| SMILES | C=1C(=C(C=C(C1)Cl)Cl)OCC(C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.924646 |