| SpectraBase Compound ID | K0EOq2aDpaC |
|---|---|
| InChI | InChI=1S/C4H6Cl2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3 |
| InChIKey | DBEYJHSHTGBZIM-UHFFFAOYSA-N |
| Mol Weight | 157.0 g/mol |
| Molecular Formula | C4H6Cl2O2 |
| Exact Mass | 155.974485 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | ITSgdLUrNwB |
|---|---|
| Name | 2,2-Dichloroethanol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 155.974484831 u |
| Formula | C4H6Cl2O2 |
| InChI | InChI=1S/C4H6Cl2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3 |
| InChIKey | DBEYJHSHTGBZIM-UHFFFAOYSA-N |
| Molecular Weight | 156.996 g/mol |
| SMILES | CC(OCC(Cl)Cl)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.952801 |