| SpectraBase Compound ID | AMlKFWDAZQK |
|---|---|
| InChI | InChI=1S/C16H12Cl2O5/c17-11-3-1-5-13(7-11)22-15(19)9-21-10-16(20)23-14-6-2-4-12(18)8-14/h1-8H,9-10H2 |
| InChIKey | WGOWEQCVOGSXNN-UHFFFAOYSA-N |
| Mol Weight | 355.17 g/mol |
| Molecular Formula | C16H12Cl2O5 |
| Exact Mass | 354.006179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EyIiLUSJcTs |
|---|---|
| Name | Diglycolic acid, di(3-chlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 354.006178881 u |
| Formula | C16H12Cl2O5 |
| InChI | InChI=1S/C16H12Cl2O5/c17-11-3-1-5-13(7-11)22-15(19)9-21-10-16(20)23-14-6-2-4-12(18)8-14/h1-8H,9-10H2 |
| InChIKey | WGOWEQCVOGSXNN-UHFFFAOYSA-N |
| Molecular Weight | 355.173 g/mol |
| SMILES | C(COCC(=O)OC1=CC=CC(=C1)Cl)(=O)OC1=CC(=CC=C1)Cl |