| SpectraBase Compound ID | 76i0kdSCF0N |
|---|---|
| InChI | InChI=1S/C16H26Cl2O4/c1-16(2,3)11-4-6-12(7-5-11)22-15(20)9-8-14(19)21-10-13(17)18/h11-13H,4-10H2,1-3H3 |
| InChIKey | CEQKWDHCYKDKFT-UHFFFAOYSA-N |
| Mol Weight | 353.29 g/mol |
| Molecular Formula | C16H26Cl2O4 |
| Exact Mass | 352.120815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2ehvxbc5Z4w |
|---|---|
| Name | Succinic acid, 2,2-dichloroethyl cis-4-tert-butylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.120814713 u |
| Formula | C16H26Cl2O4 |
| InChI | InChI=1S/C16H26Cl2O4/c1-16(2,3)11-4-6-12(7-5-11)22-15(20)9-8-14(19)21-10-13(17)18/h11-13H,4-10H2,1-3H3 |
| InChIKey | CEQKWDHCYKDKFT-UHFFFAOYSA-N |
| Molecular Weight | 353.286 g/mol |
| SMILES | C(CC(OCC(Cl)Cl)=O)C(OC1CCC(C(C)(C)C)CC1)=O |