| SpectraBase Compound ID | 9iBs00gUH3I |
|---|---|
| InChI | InChI=1S/C10H11FO3/c1-13-6-7-14-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3 |
| InChIKey | LFBXODCDPBUXJO-UHFFFAOYSA-N |
| Mol Weight | 198.19 g/mol |
| Molecular Formula | C10H11FO3 |
| Exact Mass | 198.069222 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AEsXkIic0px |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-methoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 198.069222374 u |
| Formula | C10H11FO3 |
| InChI | InChI=1S/C10H11FO3/c1-13-6-7-14-10(12)8-2-4-9(11)5-3-8/h2-5H,6-7H2,1H3 |
| InChIKey | LFBXODCDPBUXJO-UHFFFAOYSA-N |
| Molecular Weight | 198.193 g/mol |
| SMILES | C1=CC(=CC=C1C(OCCOC)=O)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.936988 |