![2-[2-(3-Chlorophenyl)-2-keto-ethyl]malonic acid dimethyl ester](/api/spectrum/LXOGvcVCXeY/structure.png?h=300&w=458 "2-[2-(3-Chlorophenyl)-2-keto-ethyl]malonic acid dimethyl ester")
| SpectraBase Compound ID | 8p1Vma2D8VY |
|---|---|
| InChI | InChI=1S/C13H13ClO5/c1-18-12(16)10(13(17)19-2)7-11(15)8-4-3-5-9(14)6-8/h3-6,10H,7H2,1-2H3 |
| InChIKey | LQZNWTHYYRDKOL-UHFFFAOYSA-N |
| Mol Weight | 284.69 g/mol |
| Molecular Formula | C13H13ClO5 |
| Exact Mass | 284.045151 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LXOGvcVCXeY |
|---|---|
| Name | 2-[2-(3-Chlorophenyl)-2-keto-ethyl]malonic acid dimethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.045151214 u |
| Formula | C13H13ClO5 |
| InChI | InChI=1S/C13H13ClO5/c1-18-12(16)10(13(17)19-2)7-11(15)8-4-3-5-9(14)6-8/h3-6,10H,7H2,1-2H3 |
| InChIKey | LQZNWTHYYRDKOL-UHFFFAOYSA-N |
| SMILES | C(CC(C=1C=C(Cl)C=CC1)=O)(C(=O)OC)C(=O)OC |