| SpectraBase Compound ID | KYBbGdWSLlG |
|---|---|
| InChI | InChI=1S/C14H22Cl2O4/c1-10-5-7-11(8-6-10)20-14(18)4-2-3-13(17)19-9-12(15)16/h10-12H,2-9H2,1H3 |
| InChIKey | AEBQIFBLVBPRTH-UHFFFAOYSA-N |
| Mol Weight | 325.23 g/mol |
| Molecular Formula | C14H22Cl2O4 |
| Exact Mass | 324.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4lnwQsw5Rcl |
|---|---|
| Name | Glutaric acid, 2,2-dichloroethyl 4-methylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 324.089514584 u |
| Formula | C14H22Cl2O4 |
| InChI | InChI=1S/C14H22Cl2O4/c1-10-5-7-11(8-6-10)20-14(18)4-2-3-13(17)19-9-12(15)16/h10-12H,2-9H2,1H3 |
| InChIKey | AEBQIFBLVBPRTH-UHFFFAOYSA-N |
| Molecular Weight | 325.232 g/mol |
| SMILES | C(CCC(OCC(Cl)Cl)=O)C(OC1CCC(CC1)C)=O |