| SpectraBase Compound ID | 2yq8TC4dni4 |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-4-5-9-20-13(18)15(2,3)14(19)21-12-10(16)7-6-8-11(12)17/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | XQUSAFRUHCYKBW-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 | 10hO8XM9mie |
|---|---|
| Name | Dimethylmalonic acid, butyl 2,6-dichlorophenyl 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/c1-4-5-9-20-13(18)15(2,3)14(19)21-12-10(16)7-6-8-11(12)17/h6-8H,4-5,9H2,1-3H3 |
| InChIKey | XQUSAFRUHCYKBW-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C1=CC=C(C(=C1Cl)OC(=O)C(C(OCCCC)=O)(C)C)Cl |