| SpectraBase Compound ID | DVA99u0yYnf |
|---|---|
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-14(18)4-3-5-15(19)21-9-8-11-6-7-12(16)10-13(11)17/h6-7,10H,2-5,8-9H2,1H3 |
| InChIKey | WBWDKVRBRZDKTJ-UHFFFAOYSA-N |
| Mol Weight | 333.21 g/mol |
| Molecular Formula | C15H18Cl2O4 |
| Exact Mass | 332.058214 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1jy6rs6MyHB |
|---|---|
| Name | Glutaric acid, 2-(2,4-dichlorophenyl)ethyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 332.058214456 u |
| Formula | C15H18Cl2O4 |
| InChI | InChI=1S/C15H18Cl2O4/c1-2-20-14(18)4-3-5-15(19)21-9-8-11-6-7-12(16)10-13(11)17/h6-7,10H,2-5,8-9H2,1H3 |
| InChIKey | WBWDKVRBRZDKTJ-UHFFFAOYSA-N |
| Molecular Weight | 333.211 g/mol |
| SMILES | C(OCCC1=CC=C(C=C1Cl)Cl)(=O)CCCC(OCC)=O |