| SpectraBase Compound ID | 7qNQks3nuYa |
|---|---|
| InChI | InChI=1S/C16H26Cl2O4/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | LAROUSPUHKQQBD-ZHACJKMWSA-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 | KzYx6kH80jT |
|---|---|
| Name | Fumaric acid, decyl 2,2-dichloroethyl 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/c1-2-3-4-5-6-7-8-9-12-21-15(19)10-11-16(20)22-13-14(17)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+ |
| InChIKey | LAROUSPUHKQQBD-ZHACJKMWSA-N |
| Molecular Weight | 353.286 g/mol |
| SMILES | C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCC)=O)=O |