| SpectraBase Compound ID | B5pP6vPnmo2 |
|---|---|
| InChI | InChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey | DTELMTOYSPFNNP-UHFFFAOYSA-N |
| Mol Weight | 210.2 g/mol |
| Molecular Formula | C11H11FO3 |
| Exact Mass | 210.069222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | H5akK3UFSs1 |
|---|---|
| Name | Ethyl-2-fluoro-3-oxo-3-phenylpropanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 210.069222374 u |
| Formula | C11H11FO3 |
| InChI | InChI=1S/C11H11FO3/c1-2-15-11(14)9(12)10(13)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3 |
| InChIKey | DTELMTOYSPFNNP-UHFFFAOYSA-N |
| Molecular Weight | 210.204 g/mol |
| SMILES | C(=O)(C(F)C(=O)C1=CC=CC=C1)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.975166 |