| SpectraBase Compound ID | 1Gv3eVkkpxi |
|---|---|
| InChI | InChI=1S/C11H14Cl6O4/c1-3-9(4-2,7(18)20-5-10(12,13)14)8(19)21-6-11(15,16)17/h3-6H2,1-2H3 |
| InChIKey | OAAFLQBHJGZGIM-UHFFFAOYSA-N |
| Mol Weight | 422.9 g/mol |
| Molecular Formula | C11H14Cl6O4 |
| Exact Mass | 419.902325 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GdIyiK6Z7t9 |
|---|---|
| Name | Diethylmalonic acid, di(2,2,2-trichloroethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.902325127 u |
| Formula | C11H14Cl6O4 |
| InChI | InChI=1S/C11H14Cl6O4/c1-3-9(4-2,7(18)20-5-10(12,13)14)8(19)21-6-11(15,16)17/h3-6H2,1-2H3 |
| InChIKey | OAAFLQBHJGZGIM-UHFFFAOYSA-N |
| Molecular Weight | 422.947 g/mol |
| SMILES | CCC(C(OCC(Cl)(Cl)Cl)=O)(C(OCC(Cl)(Cl)Cl)=O)CC |