| SpectraBase Compound ID | 6btSWc7NHEb |
|---|---|
| InChI | InChI=1S/C5H9ClO2/c1-4(6)3-5(7)8-2/h4H,3H2,1-2H3 |
| InChIKey | HDQHWBXUKZBPDN-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 | 6TtL0ukxMg7 |
|---|---|
| Name | dl-3-Chlorobutyric 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(6)3-5(7)8-2/h4H,3H2,1-2H3 |
| InChIKey | HDQHWBXUKZBPDN-UHFFFAOYSA-N |
| SMILES | CC(CC(OC)=O)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.896614 |