| SpectraBase Compound ID | LKdUqETO8c2 |
|---|---|
| InChI | InChI=1S/C5H7Cl3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3 |
| InChIKey | VAGFIAKDUREVLI-UHFFFAOYSA-N |
| Mol Weight | 221.47 g/mol |
| Molecular Formula | C5H7Cl3O3 |
| Exact Mass | 219.946077 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H12ecsiqaKE |
|---|---|
| Name | Carbonic acid, ethyl 2,2,2-trichloroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.946077182 u |
| Formula | C5H7Cl3O3 |
| InChI | InChI=1S/C5H7Cl3O3/c1-2-10-4(9)11-3-5(6,7)8/h2-3H2,1H3 |
| InChIKey | VAGFIAKDUREVLI-UHFFFAOYSA-N |
| Molecular Weight | 221.467 g/mol |
| SMILES | C(COC(=O)OCC)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.930557 |