| SpectraBase Compound ID | IAF6hevl6Vt |
|---|---|
| InChI | InChI=1S/C11H13FO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3 |
| InChIKey | FABFTFGONKMJJR-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C11H13FO2 |
| Exact Mass | 196.089958 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6424x3A4TK |
|---|---|
| Name | 4-Fluorobenzoic acid, 2-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 196.089957820 u |
| Formula | C11H13FO2 |
| InChI | InChI=1S/C11H13FO2/c1-3-8(2)14-11(13)9-4-6-10(12)7-5-9/h4-8H,3H2,1-2H3 |
| InChIKey | FABFTFGONKMJJR-UHFFFAOYSA-N |
| Molecular Weight | 196.221 g/mol |
| SMILES | CCC(C)OC(=O)C=1C=CC(F)=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.939723 |