| SpectraBase Compound ID | 6dtDdrre8V3 |
|---|---|
| InChI | InChI=1S/C5H2Cl4O3/c6-2-1-4(11,5(7,8)9)12-3(2)10/h1,11H |
| InChIKey | PGMYOMBEABLCCK-UHFFFAOYSA-N |
| Mol Weight | 251.9 g/mol |
| Molecular Formula | C5H2Cl4O3 |
| Exact Mass | 249.875805 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4Lo9qtRf946 |
|---|---|
| Name | 3-Chloro-5-hydroxy-5-(trichloromethyl)furan-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 249.875804721 u |
| Formula | C5H2Cl4O3 |
| InChI | InChI=1S/C5H2Cl4O3/c6-2-1-4(11,5(7,8)9)12-3(2)10/h1,11H |
| InChIKey | PGMYOMBEABLCCK-UHFFFAOYSA-N |
| Molecular Weight | 251.880 g/mol |
| SMILES | C1(O)(OC(C(=C1)Cl)=O)C(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845343 |