| SpectraBase Compound ID | FuwZTBHDfhe |
|---|---|
| InChI | InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12) |
| InChIKey | CMQUGOHGJUTDGZ-UHFFFAOYSA-N |
| Mol Weight | 212.05 g/mol |
| Molecular Formula | C4H2F6O3 |
| Exact Mass | 211.990813 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1HhXSZDeGen |
|---|---|
| Name | 3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 211.990812899 u |
| Formula | C4H2F6O3 |
| InChI | InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12) |
| InChIKey | CMQUGOHGJUTDGZ-UHFFFAOYSA-N |
| Molecular Weight | 212.047 g/mol |
| SMILES | OC(C(=O)O)(C(F)(F)F)C(F)(F)F |
| Spectrum/Structure Validation Score (Raman) | 0.954625 |