| SpectraBase Compound ID | 5W6g6uhAd2N |
|---|---|
| InChI | InChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9) |
| InChIKey | ICSOIMDWVVEKBW-UHFFFAOYSA-N |
| Mol Weight | 158.08 g/mol |
| Molecular Formula | C4H5F3O3 |
| Exact Mass | 158.019079 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | KGJFvr0QDql |
|---|---|
| Name | 2-(2,2,2-Trifluoroethoxy)acetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.019078507 u |
| Formula | C4H5F3O3 |
| InChI | InChI=1S/C4H5F3O3/c5-4(6,7)2-10-1-3(8)9/h1-2H2,(H,8,9) |
| InChIKey | ICSOIMDWVVEKBW-UHFFFAOYSA-N |
| Molecular Weight | 158.076 g/mol |
| SMILES | C(O)(=O)COCC(F)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958364 |