| SpectraBase Compound ID | AcM7MzCL7qS |
|---|---|
| InChI | InChI=1S/C11H13FO2/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | GLHICILXOGJFNN-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 | 8cQVkNI4H4G |
|---|---|
| Name | 3-Fluorobenzoic acid, 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/c1-2-3-7-14-11(13)9-5-4-6-10(12)8-9/h4-6,8H,2-3,7H2,1H3 |
| InChIKey | GLHICILXOGJFNN-UHFFFAOYSA-N |
| Molecular Weight | 196.221 g/mol |
| SMILES | CCCCOC(=O)C=1C=CC=C(F)C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.847818 |