| SpectraBase Compound ID | 1Acpco8EGHf |
|---|---|
| InChI | InChI=1S/C6H8Cl2O2/c7-3-1-5-10-6(9)2-4-8/h1,3H,2,4-5H2/b3-1+ |
| InChIKey | CSADUUPDAFPXAX-HNQUOIGGSA-N |
| Mol Weight | 183.03 g/mol |
| Molecular Formula | C6H8Cl2O2 |
| Exact Mass | 181.990135 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Be9iEdfh3uf |
|---|---|
| Name | 3-Chloropropionic acid, 3-chloroprop-2-enyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 181.990134896 u |
| Formula | C6H8Cl2O2 |
| InChI | InChI=1S/C6H8Cl2O2/c7-3-1-5-10-6(9)2-4-8/h1,3H,2,4-5H2/b3-1+ |
| InChIKey | CSADUUPDAFPXAX-HNQUOIGGSA-N |
| SMILES | C(\C=C\Cl)OC(CCCl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.957496 |