| SpectraBase Compound ID | J0jVG4mXpGu |
|---|---|
| InChI | InChI=1S/C12H20Cl2O4/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h9-10H,3-8H2,1-2H3 |
| InChIKey | PBFPVGPKNWRAIG-UHFFFAOYSA-N |
| Mol Weight | 299.19 g/mol |
| Molecular Formula | C12H20Cl2O4 |
| Exact Mass | 298.073865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 85PAaMQ4yuc |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 3-methylbutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.073864520 u |
| Formula | C12H20Cl2O4 |
| InChI | InChI=1S/C12H20Cl2O4/c1-9(2)6-7-17-11(15)4-3-5-12(16)18-8-10(13)14/h9-10H,3-8H2,1-2H3 |
| InChIKey | PBFPVGPKNWRAIG-UHFFFAOYSA-N |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OCCC(C)C)=O |