| SpectraBase Compound ID | 7B63iq8zERB |
|---|---|
| InChI | InChI=1S/C13H15ClO4/c1-4-17-11(15)13(2,3)12(16)18-10-7-5-6-9(14)8-10/h5-8H,4H2,1-3H3 |
| InChIKey | XWDHPXPPNKZPGK-UHFFFAOYSA-N |
| Mol Weight | 270.71 g/mol |
| Molecular Formula | C13H15ClO4 |
| Exact Mass | 270.065887 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DbZfLCYoWTO |
|---|---|
| Name | Dimethylmalonic acid, 3-chlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.065886659 u |
| Formula | C13H15ClO4 |
| InChI | InChI=1S/C13H15ClO4/c1-4-17-11(15)13(2,3)12(16)18-10-7-5-6-9(14)8-10/h5-8H,4H2,1-3H3 |
| InChIKey | XWDHPXPPNKZPGK-UHFFFAOYSA-N |
| SMILES | C1=C(C=C(OC(=O)C(C(OCC)=O)(C)C)C=C1)Cl |