| SpectraBase Compound ID | B4msJHQSGmZ |
|---|---|
| InChI | InChI=1S/C13H13Cl3O4/c14-10-3-1-9(2-4-10)7-19-12(17)5-6-13(18)20-8-11(15)16/h1-4,11H,5-8H2 |
| InChIKey | SPVDDTWLOBNMJG-UHFFFAOYSA-N |
| Mol Weight | 339.6 g/mol |
| Molecular Formula | C13H13Cl3O4 |
| Exact Mass | 337.987942 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIeH0QH21f2 |
|---|---|
| Name | Succinic acid, 2,2-dichloroethyl 4-chlorobenzyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 337.987941995 u |
| Formula | C13H13Cl3O4 |
| InChI | InChI=1S/C13H13Cl3O4/c14-10-3-1-9(2-4-10)7-19-12(17)5-6-13(18)20-8-11(15)16/h1-4,11H,5-8H2 |
| InChIKey | SPVDDTWLOBNMJG-UHFFFAOYSA-N |
| Molecular Weight | 339.602 g/mol |
| SMILES | C(CC(OCC(Cl)Cl)=O)C(OCC1=CC=C(C=C1)Cl)=O |