| SpectraBase Compound ID | 5ZfKMAK1XUG |
|---|---|
| InChI | InChI=1S/C11H13FO2/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3 |
| InChIKey | XZVQFYQJXPVOMI-UHFFFAOYSA-N |
| Mol Weight | 196.22 g/mol |
| Molecular Formula | C11H13FO2 |
| Exact Mass | 196.089958 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | FM1v4F3p88u |
|---|---|
| Name | Benzenepropanoic acid, 2-fluoro-, ethyl 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/c1-2-14-11(13)8-7-9-5-3-4-6-10(9)12/h3-6H,2,7-8H2,1H3 |
| InChIKey | XZVQFYQJXPVOMI-UHFFFAOYSA-N |
| Molecular Weight | 196.221 g/mol |
| SMILES | C1(=C(C=CC=C1)F)CCC(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.9743 |