| SpectraBase Compound ID | 17j2XWyLAqT |
|---|---|
| InChI | InChI=1S/C13H22Cl2O4/c1-3-4-5-6-10(2)19-13(17)8-7-12(16)18-9-11(14)15/h10-11H,3-9H2,1-2H3 |
| InChIKey | KAGSUOXBROXGDK-UHFFFAOYSA-N |
| Mol Weight | 313.22 g/mol |
| Molecular Formula | C13H22Cl2O4 |
| Exact Mass | 312.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 91PQ6vdkVza |
|---|---|
| Name | Succinic acid, hept-2-yl 2,2-dichloroethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.089514584 u |
| Formula | C13H22Cl2O4 |
| InChI | InChI=1S/C13H22Cl2O4/c1-3-4-5-6-10(2)19-13(17)8-7-12(16)18-9-11(14)15/h10-11H,3-9H2,1-2H3 |
| InChIKey | KAGSUOXBROXGDK-UHFFFAOYSA-N |
| Molecular Weight | 313.221 g/mol |
| SMILES | C(CC(OC(C)CCCCC)=O)C(OCC(Cl)Cl)=O |