| SpectraBase Compound ID | K1IGBJbReKp |
|---|---|
| InChI | InChI=1S/C19H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-18(22)13-14-19(23)25-16-17(20)21/h13-14,17H,2-12,15-16H2,1H3/b14-13+ |
| InChIKey | XEUKCOQEWZJXBR-BUHFOSPRSA-N |
| Mol Weight | 395.4 g/mol |
| Molecular Formula | C19H32Cl2O4 |
| Exact Mass | 394.167765 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EOjW0YKjBHn |
|---|---|
| Name | Fumaric acid, 2,2-dichloroethyl tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.167764906 u |
| Formula | C19H32Cl2O4 |
| InChI | InChI=1S/C19H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-24-18(22)13-14-19(23)25-16-17(20)21/h13-14,17H,2-12,15-16H2,1H3/b14-13+ |
| InChIKey | XEUKCOQEWZJXBR-BUHFOSPRSA-N |
| Molecular Weight | 395.367 g/mol |
| SMILES | C(OCC(Cl)Cl)(\C=C\C(OCCCCCCCCCCCCC)=O)=O |