| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HcZoSSPpTvh |
|---|---|
| Name | Chloroacetic acid, 3-chloropropyl ester |
| Comments | Computed using HOSE algorithm |
| 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 |