| SpectraBase Compound ID | 7RERY6wzt5v |
|---|---|
| InChI | InChI=1S/C8H13F3O2/c1-6(2)3-4-7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | URZZSEIXZJZOCG-UHFFFAOYSA-N |
| Mol Weight | 198.19 g/mol |
| Molecular Formula | C8H13F3O2 |
| Exact Mass | 198.086764 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7PkhqrTQKC7 |
|---|---|
| Name | 4-Methylpentanoic acid, 2,2,2-trifluoroethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.086764146 u |
| Formula | C8H13F3O2 |
| InChI | InChI=1S/C8H13F3O2/c1-6(2)3-4-7(12)13-5-8(9,10)11/h6H,3-5H2,1-2H3 |
| InChIKey | URZZSEIXZJZOCG-UHFFFAOYSA-N |
| Molecular Weight | 198.185 g/mol |
| SMILES | C(CCC(OCC(F)(F)F)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.843421 |