| SpectraBase Compound ID | AgtGQB4OqTV |
|---|---|
| InChI | InChI=1S/C9H6Cl4O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | UDOKFBPXDCJNEF-UHFFFAOYSA-N |
| Mol Weight | 288.0 g/mol |
| Molecular Formula | C9H6Cl4O2 |
| Exact Mass | 285.91219 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6kUKHJLtwc9 |
|---|---|
| Name | 2,2,2-Trichloroethyl 3-chlorobenzoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 285.912190231 u |
| Formula | C9H6Cl4O2 |
| InChI | InChI=1S/C9H6Cl4O2/c10-7-3-1-2-6(4-7)8(14)15-5-9(11,12)13/h1-4H,5H2 |
| InChIKey | UDOKFBPXDCJNEF-UHFFFAOYSA-N |
| Molecular Weight | 287.957 g/mol |
| SMILES | C(Cl)(Cl)(Cl)COC(=O)C1=CC(=CC=C1)Cl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.916384 |