| SpectraBase Compound ID | 8hhPoGQbHvG |
|---|---|
| InChI | InChI=1S/C5H6Cl2O2/c1-2-3-9-5(8)4(6)7/h2,4H,1,3H2 |
| InChIKey | UJUPTENXDPFFDP-UHFFFAOYSA-N |
| Mol Weight | 169.01 g/mol |
| Molecular Formula | C5H6Cl2O2 |
| Exact Mass | 167.974485 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oXAeNELccV |
|---|---|
| Name | Dichloroacetic acid, allyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 167.974484831 u |
| Formula | C5H6Cl2O2 |
| InChI | InChI=1S/C5H6Cl2O2/c1-2-3-9-5(8)4(6)7/h2,4H,1,3H2 |
| InChIKey | UJUPTENXDPFFDP-UHFFFAOYSA-N |
| SMILES | C(Cl)(C(OCC=C)=O)Cl |