| SpectraBase Compound ID | 4YX4hHDp3Nt |
|---|---|
| InChI | InChI=1S/C4H5F3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3 |
| InChIKey | PMGBATZKLCISOD-UHFFFAOYSA-N |
| Mol Weight | 142.08 g/mol |
| Molecular Formula | C4H5F3O2 |
| Exact Mass | 142.024164 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AJTnMGiWigs |
|---|---|
| Name | Propanoic acid, 3,3,3-trifluoro-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 142.024163888 u |
| Formula | C4H5F3O2 |
| InChI | InChI=1S/C4H5F3O2/c1-9-3(8)2-4(5,6)7/h2H2,1H3 |
| InChIKey | PMGBATZKLCISOD-UHFFFAOYSA-N |
| Molecular Weight | 142.077 g/mol |
| SMILES | C(=O)(CC(F)(F)F)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.949041 |