| SpectraBase Compound ID | CYDCgBWx1QR |
|---|---|
| InChI | InChI=1S/C4H2Cl3F3O2/c5-4(6,7)2(11)12-1-3(8,9)10/h1H2 |
| InChIKey | PBNSIWIXDXFYGL-UHFFFAOYSA-N |
| Mol Weight | 245.41 g/mol |
| Molecular Formula | C4H2Cl3F3O2 |
| Exact Mass | 243.907247 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DGXq1vybxde |
|---|---|
| Name | Trichloroacetic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.907246891 u |
| Formula | C4H2Cl3F3O2 |
| InChI | InChI=1S/C4H2Cl3F3O2/c5-4(6,7)2(11)12-1-3(8,9)10/h1H2 |
| InChIKey | PBNSIWIXDXFYGL-UHFFFAOYSA-N |
| Molecular Weight | 245.412 g/mol |
| SMILES | C(=O)(OCC(F)(F)F)C(Cl)(Cl)Cl |