| SpectraBase Compound ID | FDHI7Gnlj7h |
|---|---|
| InChI | InChI=1S/C5H5Cl3O/c1-3(6)4(9)2-5(7)8/h2-3H,1H3 |
| InChIKey | CVEWVJQXEHVRQK-UHFFFAOYSA-N |
| Mol Weight | 187.45 g/mol |
| Molecular Formula | C5H5Cl3O |
| Exact Mass | 185.940598 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HntxYg3Len7 |
|---|---|
| Name | 1,1,4-Trichloropent-1-en-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 185.940597880 u |
| Formula | C5H5Cl3O |
| InChI | InChI=1S/C5H5Cl3O/c1-3(6)4(9)2-5(7)8/h2-3H,1H3 |
| InChIKey | CVEWVJQXEHVRQK-UHFFFAOYSA-N |
| SMILES | C(=C(Cl)Cl)C(=O)C(Cl)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.851687 |