| SpectraBase Compound ID | Ds4mGP5Lffz |
|---|---|
| InChI | InChI=1S/C8H12Cl2O3/c1-3-13-8(12)6(5(2)11)4-7(9)10/h6-7H,3-4H2,1-2H3 |
| InChIKey | GMPGWWWUYNZOGM-UHFFFAOYSA-N |
| Mol Weight | 227.09 g/mol |
| Molecular Formula | C8H12Cl2O3 |
| Exact Mass | 226.01635 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | HeqQ6qj1Vee |
|---|---|
| Name | Ethyl .alpha.-acetyl-.gamma.,.gamma.-dichlorobutanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 226.016349643 u |
| Formula | C8H12Cl2O3 |
| InChI | InChI=1S/C8H12Cl2O3/c1-3-13-8(12)6(5(2)11)4-7(9)10/h6-7H,3-4H2,1-2H3 |
| InChIKey | GMPGWWWUYNZOGM-UHFFFAOYSA-N |
| SMILES | C(C(CC(Cl)Cl)C(=O)C)(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.906673 |