| SpectraBase Compound ID | GASlVZHmEOA |
|---|---|
| InChI | InChI=1S/C6H9Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h2-4H2,1H3 |
| InChIKey | OBWBQZDLFHYZIH-UHFFFAOYSA-N |
| Mol Weight | 235.49 g/mol |
| Molecular Formula | C6H9Cl3O3 |
| Exact Mass | 233.961727 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HK0ivNfi3hZ |
|---|---|
| Name | Carbonic acid, propyl 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 | 233.961727247 u |
| Formula | C6H9Cl3O3 |
| InChI | InChI=1S/C6H9Cl3O3/c1-2-3-11-5(10)12-4-6(7,8)9/h2-4H2,1H3 |
| InChIKey | OBWBQZDLFHYZIH-UHFFFAOYSA-N |
| Molecular Weight | 235.494 g/mol |
| SMILES | C(COC(OCCC)=O)(Cl)(Cl)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.879215 |