| SpectraBase Compound ID | C0vgbvgCxX2 |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-4-7-8-22-15(20)17(5-2,6-3)16(21)23-14-10-12(18)9-13(19)11-14/h9-11H,4-8H2,1-3H3 |
| InChIKey | ZZMAGLZYMIRBIA-UHFFFAOYSA-N |
| Mol Weight | 361.27 g/mol |
| Molecular Formula | C17H22Cl2O4 |
| Exact Mass | 360.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JDUW1UXhUYs |
|---|---|
| Name | Diethylmalonic acid, butyl 3,5-dichlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 360.089514584 u |
| Formula | C17H22Cl2O4 |
| InChI | InChI=1S/C17H22Cl2O4/c1-4-7-8-22-15(20)17(5-2,6-3)16(21)23-14-10-12(18)9-13(19)11-14/h9-11H,4-8H2,1-3H3 |
| InChIKey | ZZMAGLZYMIRBIA-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=CC(=CC(=C1)Cl)Cl)=O)CC |