| SpectraBase Compound ID | 2qaTIITNBxk |
|---|---|
| InChI | InChI=1S/C5H8Cl2O2/c1-9-5(8)3-2-4(6)7/h4H,2-3H2,1H3 |
| InChIKey | FLTUWIKFBYMPIV-UHFFFAOYSA-N |
| Mol Weight | 171.02 g/mol |
| Molecular Formula | C5H8Cl2O2 |
| Exact Mass | 169.990135 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 4CP3sn6vXCR |
|---|---|
| Name | 4,4-Dichlorobutyric acid, methyl 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/c1-9-5(8)3-2-4(6)7/h4H,2-3H2,1H3 |
| InChIKey | FLTUWIKFBYMPIV-UHFFFAOYSA-N |
| SMILES | C(C(Cl)Cl)CC(OC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.887896 |