| SpectraBase Compound ID | IDdzLFnPEZK |
|---|---|
| InChI | InChI=1S/C8H12Cl4O2/c9-5-3-1-2-4-6-14-7(13)8(10,11)12/h1-6H2 |
| InChIKey | SCWOHXIWHLOZJV-UHFFFAOYSA-N |
| Mol Weight | 282.0 g/mol |
| Molecular Formula | C8H12Cl4O2 |
| Exact Mass | 279.95914 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KUtoPzWRQP3 |
|---|---|
| Name | Trichloroacetic acid, 6-chlorohexyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 279.959140424 u |
| Formula | C8H12Cl4O2 |
| InChI | InChI=1S/C8H12Cl4O2/c9-5-3-1-2-4-6-14-7(13)8(10,11)12/h1-6H2 |
| InChIKey | SCWOHXIWHLOZJV-UHFFFAOYSA-N |
| SMILES | C(=O)(C(Cl)(Cl)Cl)OCCCCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.801689 |