| SpectraBase Compound ID | D18XHUSPJcV |
|---|---|
| InChI | InChI=1S/C14H16Cl2O4/c1-4-8-19-12(17)14(2,3)13(18)20-11-9(15)6-5-7-10(11)16/h5-7H,4,8H2,1-3H3 |
| InChIKey | BZDCIDUYMJSOOM-UHFFFAOYSA-N |
| Mol Weight | 319.18 g/mol |
| Molecular Formula | C14H16Cl2O4 |
| Exact Mass | 318.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | d3sssCQfO7 |
|---|---|
| Name | Dimethylmalonic acid, 2,6-dichlorophenyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 318.042564391 u |
| Formula | C14H16Cl2O4 |
| InChI | InChI=1S/C14H16Cl2O4/c1-4-8-19-12(17)14(2,3)13(18)20-11-9(15)6-5-7-10(11)16/h5-7H,4,8H2,1-3H3 |
| InChIKey | BZDCIDUYMJSOOM-UHFFFAOYSA-N |
| Molecular Weight | 319.184 g/mol |
| SMILES | C1=CC=C(C(=C1Cl)OC(=O)C(C(OCCC)=O)(C)C)Cl |