SpectraBase Compound ID | HMPtjmb2DZn |
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InChI | InChI=1S/C5H8Cl2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3 |
InChIKey | WKLDGFBVDZTSMP-UHFFFAOYSA-N |
Mol Weight | 187.02 g/mol |
Molecular Formula | C5H8Cl2O3 |
Exact Mass | 185.98505 g/mol |
SpectraBase Spectrum ID | 27Vne88EVEe |
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Name | 2,2-Dichloroethyl ethyl carbonate |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 185.985049515 u |
Formula | C5H8Cl2O3 |
InChI | InChI=1S/C5H8Cl2O3/c1-2-9-5(8)10-3-4(6)7/h4H,2-3H2,1H3 |
InChIKey | WKLDGFBVDZTSMP-UHFFFAOYSA-N |
Molecular Weight | 187.022 g/mol |
SMILES | C(=O)(OCC)OCC(Cl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.954293 |