| SpectraBase Compound ID | AUkmgi6LAy |
|---|---|
| InChI | InChI=1S/C3Cl4F2O/c4-2(5,8)1(10)3(6,7)9 |
| InChIKey | MXYOKVCIXGJEFW-UHFFFAOYSA-N |
| Mol Weight | 231.8 g/mol |
| Molecular Formula | C3Cl4F2O |
| Exact Mass | 229.867132 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4c6yYuFlk66 |
|---|---|
| Name | 1,3-Difluorotetrachloroacetone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.867131745 u |
| Formula | C3Cl4F2O |
| InChI | InChI=1S/C3Cl4F2O/c4-2(5,8)1(10)3(6,7)9 |
| InChIKey | MXYOKVCIXGJEFW-UHFFFAOYSA-N |
| Molecular Weight | 231.841 g/mol |
| SMILES | C(C(=O)C(Cl)(Cl)F)(Cl)(Cl)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.935101 |