| SpectraBase Compound ID | BjtKAM96TgF |
|---|---|
| InChI | InChI=1S/C5H8Cl2O2/c6-2-1-3-9-5(8)4-7/h1-4H2 |
| InChIKey | CWZVJVDIQWKNJX-UHFFFAOYSA-N |
| Mol Weight | 171.02 g/mol |
| Molecular Formula | C5H8Cl2O2 |
| Exact Mass | 169.990135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FY6bLZ2AKKT |
|---|---|
| Name | Chloroacetic acid, 3-chloropropyl 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/c6-2-1-3-9-5(8)4-7/h1-4H2 |
| InChIKey | CWZVJVDIQWKNJX-UHFFFAOYSA-N |
| SMILES | C(Cl)C(OCCCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.845065 |