| SpectraBase Compound ID | EpVUfjfRlCN |
|---|---|
| InChI | InChI=1S/C15H19ClO4/c1-4-15(5-2,13(17)19-6-3)14(18)20-12-9-7-11(16)8-10-12/h7-10H,4-6H2,1-3H3 |
| InChIKey | RMBSYOLXIBKWOZ-UHFFFAOYSA-N |
| Mol Weight | 298.77 g/mol |
| Molecular Formula | C15H19ClO4 |
| Exact Mass | 298.097187 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FdAhevquD4R |
|---|---|
| Name | Diethylmalonic acid, 4-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.097186788 u |
| Formula | C15H19ClO4 |
| InChI | InChI=1S/C15H19ClO4/c1-4-15(5-2,13(17)19-6-3)14(18)20-12-9-7-11(16)8-10-12/h7-10H,4-6H2,1-3H3 |
| InChIKey | RMBSYOLXIBKWOZ-UHFFFAOYSA-N |
| SMILES | CCC(C(OCC)=O)(C(OC1=CC=C(C=C1)Cl)=O)CC |