| SpectraBase Compound ID | 1K2a2zqJUQa |
|---|---|
| InChI | InChI=1S/C18H25ClO4/c1-5-8-11-22-16(20)18(6-2,7-3)17(21)23-15-10-9-14(19)12-13(15)4/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | SLMRDCQRRMCCFM-UHFFFAOYSA-N |
| Mol Weight | 340.85 g/mol |
| Molecular Formula | C18H25ClO4 |
| Exact Mass | 340.144137 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | ACPxua6JqVM |
|---|---|
| Name | Diethylmalonic acid, butyl 4-chloro-2-methylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.144136981 u |
| Formula | C18H25ClO4 |
| InChI | InChI=1S/C18H25ClO4/c1-5-8-11-22-16(20)18(6-2,7-3)17(21)23-15-10-9-14(19)12-13(15)4/h9-10,12H,5-8,11H2,1-4H3 |
| InChIKey | SLMRDCQRRMCCFM-UHFFFAOYSA-N |
| Molecular Weight | 340.847 g/mol |
| SMILES | CCC(C(OCCCC)=O)(C(OC1=C(C=C(C=C1)Cl)C)=O)CC |