| SpectraBase Compound ID | DUX1UAlUkJH |
|---|---|
| InChI | InChI=1S/C8H6Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+ |
| InChIKey | WFTACGQPAJJUOO-OWOJBTEDSA-N |
| Mol Weight | 378.9 g/mol |
| Molecular Formula | C8H6Cl6O4 |
| Exact Mass | 375.839725 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6aAN86TJSQa |
|---|---|
| Name | Fumaric acid, di(2,2,2-trichloroethyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 375.839724869 u |
| Formula | C8H6Cl6O4 |
| InChI | InChI=1S/C8H6Cl6O4/c9-7(10,11)3-17-5(15)1-2-6(16)18-4-8(12,13)14/h1-2H,3-4H2/b2-1+ |
| InChIKey | WFTACGQPAJJUOO-OWOJBTEDSA-N |
| Molecular Weight | 378.850 g/mol |
| SMILES | C(OCC(Cl)(Cl)Cl)(\C=C\C(OCC(Cl)(Cl)Cl)=O)=O |