| SpectraBase Compound ID | AEC5LVFXA4l |
|---|---|
| InChI | InChI=1S/C17H22Cl2O4/c1-5-17(6-2,15(20)22-10-11(3)4)16(21)23-14-12(18)8-7-9-13(14)19/h7-9,11H,5-6,10H2,1-4H3 |
| InChIKey | RNFQQLRJIKYOFZ-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 | IaSuk5i18AN |
|---|---|
| Name | Diethylmalonic acid, 2,6-dichlorophenyl isobutyl 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/c1-5-17(6-2,15(20)22-10-11(3)4)16(21)23-14-12(18)8-7-9-13(14)19/h7-9,11H,5-6,10H2,1-4H3 |
| InChIKey | RNFQQLRJIKYOFZ-UHFFFAOYSA-N |
| Molecular Weight | 361.265 g/mol |
| SMILES | CCC(C(OCC(C)C)=O)(C(OC1=C(C=CC=C1Cl)Cl)=O)CC |