| SpectraBase Compound ID | 2tZIpFvIvDS |
|---|---|
| InChI | InChI=1S/C16H20Cl2O4/c1-4-9-21-14(19)16(5-2,6-3)15(20)22-13-8-7-11(17)10-12(13)18/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | WZQDKJDQQKPADT-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 | CmyhTpmsQyt |
|---|---|
| Name | Diethylmalonic acid, 2,4-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/c1-4-9-21-14(19)16(5-2,6-3)15(20)22-13-8-7-11(17)10-12(13)18/h7-8,10H,4-6,9H2,1-3H3 |
| InChIKey | WZQDKJDQQKPADT-UHFFFAOYSA-N |
| Molecular Weight | 347.238 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OC=1C(=CC(=CC1)Cl)Cl)=O)CC |