| SpectraBase Compound ID | 203V8SjSpYQ |
|---|---|
| InChI | InChI=1S/C5H5F3O4/c1-11-3(9)2-12-4(10)5(6,7)8/h2H2,1H3 |
| InChIKey | VFUXTANPCKULSS-UHFFFAOYSA-N |
| Mol Weight | 186.09 g/mol |
| Molecular Formula | C5H5F3O4 |
| Exact Mass | 186.013993 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3ObDFbh9JT6 |
|---|---|
| Name | Methyl glycolate, trifluoroacetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.013993126 u |
| Formula | C5H5F3O4 |
| InChI | InChI=1S/C5H5F3O4/c1-11-3(9)2-12-4(10)5(6,7)8/h2H2,1H3 |
| InChIKey | VFUXTANPCKULSS-UHFFFAOYSA-N |
| Molecular Weight | 186.086 g/mol |
| SMILES | C(OC(C(F)(F)F)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.979159 |