| SpectraBase Compound ID | 9NabMnSMlv0 |
|---|---|
| InChI | InChI=1S/C5H9ClO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3 |
| InChIKey | CHTWJLYZRAJEKG-UHFFFAOYSA-N |
| Mol Weight | 136.58 g/mol |
| Molecular Formula | C5H9ClO2 |
| Exact Mass | 136.029107 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | BpL8MGJ1lsP |
|---|---|
| Name | 3-Chloro-2-methylpropionic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 136.029107228 u |
| Formula | C5H9ClO2 |
| InChI | InChI=1S/C5H9ClO2/c1-4(3-6)5(7)8-2/h4H,3H2,1-2H3 |
| InChIKey | CHTWJLYZRAJEKG-UHFFFAOYSA-N |
| Molecular Weight | 136.578 g/mol |
| SMILES | C(Cl)C(C(OC)=O)C |
| Spectrum/Structure Validation Score (Raman) | 0.96689 |