| SpectraBase Compound ID | 9xi7YIJoTw6 |
|---|---|
| InChI | InChI=1S/C4H4Cl4O2/c5-1-2-10-3(9)4(6,7)8/h1-2H2 |
| InChIKey | LZAFIYKPGDSKLN-UHFFFAOYSA-N |
| Mol Weight | 225.9 g/mol |
| Molecular Formula | C4H4Cl4O2 |
| Exact Mass | 223.89654 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3UsQrmlXIRW |
|---|---|
| Name | Trichloroacetic acid, 2-chloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.896540167 u |
| Formula | C4H4Cl4O2 |
| InChI | InChI=1S/C4H4Cl4O2/c5-1-2-10-3(9)4(6,7)8/h1-2H2 |
| InChIKey | LZAFIYKPGDSKLN-UHFFFAOYSA-N |
| Molecular Weight | 225.886 g/mol |
| SMILES | C(C(=O)OCCCl)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.961593 |