| SpectraBase Compound ID | 8vJ6UTL5EP3 |
|---|---|
| InChI | InChI=1S/C12H11Cl3O4/c1-2-18-10(16)3-4-11(17)19-12-8(14)5-7(13)6-9(12)15/h5-6H,2-4H2,1H3 |
| InChIKey | UWDPYUDAJIPCMB-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 | KSrxHa2T9Ap |
|---|---|
| Name | Succinic acid, ethyl 2,4,6-trichlorophenyl 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/c1-2-18-10(16)3-4-11(17)19-12-8(14)5-7(13)6-9(12)15/h5-6H,2-4H2,1H3 |
| InChIKey | UWDPYUDAJIPCMB-UHFFFAOYSA-N |
| Molecular Weight | 325.575 g/mol |
| SMILES | C(CC(OCC)=O)C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O |