| SpectraBase Compound ID | 4TmArEjpeCO |
|---|---|
| InChI | InChI=1S/C12H11Cl3O5/c1-2-19-10(16)5-18-6-11(17)20-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6H2,1H3 |
| InChIKey | DGUZMZSNHKSTRQ-UHFFFAOYSA-N |
| Mol Weight | 341.57 g/mol |
| Molecular Formula | C12H11Cl3O5 |
| Exact Mass | 339.967207 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ssRqodBJVl |
|---|---|
| Name | Diglycolic 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 | 339.967206549 u |
| Formula | C12H11Cl3O5 |
| InChI | InChI=1S/C12H11Cl3O5/c1-2-19-10(16)5-18-6-11(17)20-12-8(14)3-7(13)4-9(12)15/h3-4H,2,5-6H2,1H3 |
| InChIKey | DGUZMZSNHKSTRQ-UHFFFAOYSA-N |
| Molecular Weight | 341.574 g/mol |
| SMILES | C(COCC(=O)OCC)(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |