| SpectraBase Compound ID | 3gPImRMzQKb |
|---|---|
| InChI | InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3 |
| InChIKey | OFHMODDLBXETIK-UHFFFAOYSA-N |
| Mol Weight | 157.0 g/mol |
| Molecular Formula | C4H6Cl2O2 |
| Exact Mass | 155.974485 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | IGmAGNZWUew |
|---|---|
| Name | 2,3-Dichloropropionic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.974484831 u |
| Formula | C4H6Cl2O2 |
| InChI | InChI=1S/C4H6Cl2O2/c1-8-4(7)3(6)2-5/h3H,2H2,1H3 |
| InChIKey | OFHMODDLBXETIK-UHFFFAOYSA-N |
| Molecular Weight | 156.996 g/mol |
| SMILES | COC(C(CCl)Cl)=O |
| Spectrum/Structure Validation Score (Raman) | 0.969979 |