| SpectraBase Compound ID | GYVwLIp0s9p |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-4-15(5-2,13(18)20-6-3)14(19)21-12-10(16)8-7-9-11(12)17/h7-9H,4-6H2,1-3H3 |
| InChIKey | YFKAQOYMJVQTAH-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HV5lsUctqZ8 |
|---|---|
| Name | Diethylmalonic acid, 2,6-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-4-15(5-2,13(18)20-6-3)14(19)21-12-10(16)8-7-9-11(12)17/h7-9H,4-6H2,1-3H3 |
| InChIKey | YFKAQOYMJVQTAH-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | CCC(C(OCC)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC |