| SpectraBase Compound ID | AaxT2aZKQL3 |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | KZMDFTFGWIVSNQ-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 1JkjeDV6o0G |
|---|---|
| Name | 3-(2-Chlorophenyl)propionic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChIKey | KZMDFTFGWIVSNQ-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | OC(CCC1=C(C=CC=C1)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.84568 |