![1,3-Dimethyl 2-[2-(2-chlorophenyl)ethyl]propanedioate](/api/spectrum/ACx7zwcP4Og/structure.png?h=300&w=458 "1,3-Dimethyl 2-[2-(2-chlorophenyl)ethyl]propanedioate")
| SpectraBase Compound ID | 1HHtPhmLfFa |
|---|---|
| InChI | InChI=1S/C13H15ClO4/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3 |
| InChIKey | HCSHOGSTOCCQRI-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 | ACx7zwcP4Og |
|---|---|
| Name | 1,3-Dimethyl 2-[2-(2-chlorophenyl)ethyl]propanedioate |
| 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/c1-17-12(15)10(13(16)18-2)8-7-9-5-3-4-6-11(9)14/h3-6,10H,7-8H2,1-2H3 |
| InChIKey | HCSHOGSTOCCQRI-UHFFFAOYSA-N |
| SMILES | C1=C(C(=CC=C1)CCC(C(OC)=O)C(OC)=O)Cl |