| SpectraBase Compound ID | ALlN15z8nOY |
|---|---|
| InChI | InChI=1S/C6H5F5O4/c1-14-3(12)2-15-4(13)5(7,8)6(9,10)11/h2H2,1H3 |
| InChIKey | ZGOMCGQMVPVBOO-UHFFFAOYSA-N |
| Mol Weight | 236.09 g/mol |
| Molecular Formula | C6H5F5O4 |
| Exact Mass | 236.010799 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BepLOw4tiAn |
|---|---|
| Name | Methyl glycolate, pentafluoropropionate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.010799452 u |
| Formula | C6H5F5O4 |
| InChI | InChI=1S/C6H5F5O4/c1-14-3(12)2-15-4(13)5(7,8)6(9,10)11/h2H2,1H3 |
| InChIKey | ZGOMCGQMVPVBOO-UHFFFAOYSA-N |
| Molecular Weight | 236.094 g/mol |
| SMILES | C(OC(C(C(F)(F)F)(F)F)=O)C(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984283 |