| SpectraBase Compound ID | EHWDqFQwxak |
|---|---|
| InChI | InChI=1S/C12H11Cl3O4/c13-8-2-1-3-9(6-8)19-12(17)5-4-11(16)18-7-10(14)15/h1-3,6,10H,4-5,7H2 |
| InChIKey | FFKWHAMGQPJLMF-UHFFFAOYSA-N |
| Mol Weight | 325.58 g/mol |
| Molecular Formula | C12H11Cl3O4 |
| Exact Mass | 323.972292 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DesGRn0aEJL |
|---|---|
| Name | Succinic acid, 2,2-dichloroethyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.972291930 u |
| Formula | C12H11Cl3O4 |
| InChI | InChI=1S/C12H11Cl3O4/c13-8-2-1-3-9(6-8)19-12(17)5-4-11(16)18-7-10(14)15/h1-3,6,10H,4-5,7H2 |
| InChIKey | FFKWHAMGQPJLMF-UHFFFAOYSA-N |
| Molecular Weight | 325.575 g/mol |
| SMILES | C(CC(OCC(Cl)Cl)=O)C(OC1=CC(=CC=C1)Cl)=O |