| SpectraBase Compound ID | FaT1gyvBV3l |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-4-7-21-14(19)16(5-2,6-3)15(20)22-13-9-11(17)8-12(18)10-13/h8-10H,4-7H2,1-3H3 |
| InChIKey | WKDHIXTZIUBCFD-UHFFFAOYSA-N |
| Mol Weight | 347.24 g/mol |
| Molecular Formula | C16H20Cl2O4 |
| Exact Mass | 346.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 49OkZJ0StCz |
|---|---|
| Name | Diethylmalonic acid, 3,5-dichlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.073864520 u |
| Formula | C16H20Cl2O4 |
| InChI | InChI=1S/C16H20Cl2O4/c1-4-7-21-14(19)16(5-2,6-3)15(20)22-13-9-11(17)8-12(18)10-13/h8-10H,4-7H2,1-3H3 |
| InChIKey | WKDHIXTZIUBCFD-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC=1C=C(C=C(C1)Cl)Cl)=O)CC |