| 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 |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | QU4GmPwOSQ |
|---|---|
| Name | Dichloroacetic acid, allyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.955 |