| SpectraBase Compound ID | Izi560AjVT8 |
|---|---|
| InChI | InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3 |
| InChIKey | MLANUBGYWOMWLZ-UHFFFAOYSA-N |
| Mol Weight | 204.15 g/mol |
| Molecular Formula | C9H7F3O2 |
| Exact Mass | 204.039814 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 53Xjq96LV3j |
|---|---|
| Name | 2,3,4-Trifluorobenzoic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.039813952 u |
| Formula | C9H7F3O2 |
| InChI | InChI=1S/C9H7F3O2/c1-2-14-9(13)5-3-4-6(10)8(12)7(5)11/h3-4H,2H2,1H3 |
| InChIKey | MLANUBGYWOMWLZ-UHFFFAOYSA-N |
| Molecular Weight | 204.148 g/mol |
| SMILES | CCOC(=O)C1=CC=C(C(=C1F)F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.942265 |