| SpectraBase Compound ID | 1QPwVTIS5tP |
|---|---|
| InChI | InChI=1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3 |
| InChIKey | RNZPQAZETZXKCQ-UHFFFAOYSA-N |
| Mol Weight | 171.02 g/mol |
| Molecular Formula | C5H8Cl2O2 |
| Exact Mass | 169.990135 g/mol |
Raman Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A3woq90Ss8H |
|---|---|
| Name | 2,3-Dichloropropionic acid, ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 169.990134896 u |
| Formula | C5H8Cl2O2 |
| InChI | InChI=1S/C5H8Cl2O2/c1-2-9-5(8)4(7)3-6/h4H,2-3H2,1H3 |
| InChIKey | RNZPQAZETZXKCQ-UHFFFAOYSA-N |
| SMILES | C(Cl)(CCl)C(OCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.968383 |