| SpectraBase Compound ID | 64rVjxBXE2y |
|---|---|
| InChI | InChI=1S/C11H13FO3/c1-2-14-7-8-15-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | NIPQMGCSPKTETG-UHFFFAOYSA-N |
| Mol Weight | 212.22 g/mol |
| Molecular Formula | C11H13FO3 |
| Exact Mass | 212.084872 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5ZYsxxvy06D |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-ethoxyethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.084872439 u |
| Formula | C11H13FO3 |
| InChI | InChI=1S/C11H13FO3/c1-2-14-7-8-15-11(13)9-3-5-10(12)6-4-9/h3-6H,2,7-8H2,1H3 |
| InChIKey | NIPQMGCSPKTETG-UHFFFAOYSA-N |
| Molecular Weight | 212.220 g/mol |
| SMILES | C(C1=CC=C(C=C1)F)(OCCOCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915705 |