| SpectraBase Compound ID | GqnWXFXQ20X |
|---|---|
| InChI | InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | CDHLQZJRWKQATP-UHFFFAOYSA-N |
| Mol Weight | 187.07 g/mol |
| Molecular Formula | C6H12Cl2O2 |
| Exact Mass | 186.021435 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K3JgxLbQWct |
|---|---|
| Name | Dichloroacetaldehyde, diethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.021435024 u |
| Formula | C6H12Cl2O2 |
| InChI | InChI=1S/C6H12Cl2O2/c1-3-9-6(5(7)8)10-4-2/h5-6H,3-4H2,1-2H3 |
| InChIKey | CDHLQZJRWKQATP-UHFFFAOYSA-N |
| Molecular Weight | 187.066 g/mol |
| SMILES | C(Cl)(C(OCC)OCC)Cl |
| Spectrum/Structure Validation Score (Raman) | 0.965926 |