| SpectraBase Compound ID | FsETvbIgleU |
|---|---|
| InChI | InChI=1S/C17H12Cl4O4/c1-17(2,15(22)24-13-9(18)5-3-6-10(13)19)16(23)25-14-11(20)7-4-8-12(14)21/h3-8H,1-2H3 |
| InChIKey | ZUOJDRMFDYWVCI-UHFFFAOYSA-N |
| Mol Weight | 422.1 g/mol |
| Molecular Formula | C17H12Cl4O4 |
| Exact Mass | 419.94897 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1mOk4hDd2r |
|---|---|
| Name | Dimethylmalonic acid, di(2,6-dichlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 419.948969662 u |
| Formula | C17H12Cl4O4 |
| InChI | InChI=1S/C17H12Cl4O4/c1-17(2,15(22)24-13-9(18)5-3-6-10(13)19)16(23)25-14-11(20)7-4-8-12(14)21/h3-8H,1-2H3 |
| InChIKey | ZUOJDRMFDYWVCI-UHFFFAOYSA-N |
| Molecular Weight | 422.091 g/mol |
| SMILES | C1=CC=C(C(=C1Cl)OC(=O)C(C(=O)OC1=C(C=CC=C1Cl)Cl)(C)C)Cl |