| SpectraBase Compound ID | FfNAF9RlHXz |
|---|---|
| InChI | InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4-6(5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | ZSMRFULEPOGUAJ-UHFFFAOYSA-N |
| Mol Weight | 224.57 g/mol |
| Molecular Formula | C8H4ClF3O2 |
| Exact Mass | 223.985192 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LDQt3JiUeIM |
|---|---|
| Name | 2-Chlorophenol, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.985191556 u |
| Formula | C8H4ClF3O2 |
| InChI | InChI=1S/C8H4ClF3O2/c9-5-3-1-2-4-6(5)14-7(13)8(10,11)12/h1-4H |
| InChIKey | ZSMRFULEPOGUAJ-UHFFFAOYSA-N |
| Molecular Weight | 224.566 g/mol |
| SMILES | C1(Cl)=C(OC(C(F)(F)F)=O)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.882439 |