| SpectraBase Compound ID | ABHutoXVRUw |
|---|---|
| InChI | InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | GUZLQEOSDXLCKX-UHFFFAOYSA-N |
| Mol Weight | 168.17 g/mol |
| Molecular Formula | C9H9FO2 |
| Exact Mass | 168.058658 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B9Sq33Nb5re |
|---|---|
| Name | 3-(2-Fluorophenyl)-propionic-acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.058657691 u |
| Formula | C9H9FO2 |
| InChI | InChI=1S/C9H9FO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | GUZLQEOSDXLCKX-UHFFFAOYSA-N |
| Molecular Weight | 168.167 g/mol |
| SMILES | C1(F)=C(CCC(=O)O)C=CC=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.873575 |