| SpectraBase Compound ID | IajKRsR2HKq |
|---|---|
| InChI | InChI=1S/C16H8Cl4O4/c17-9-3-1-4-10(18)15(9)23-13(21)7-8-14(22)24-16-11(19)5-2-6-12(16)20/h1-8H/b8-7+ |
| InChIKey | AVYNDHGMMHFMOJ-BQYQJAHWSA-N |
| Mol Weight | 406.0 g/mol |
| Molecular Formula | C16H8Cl4O4 |
| Exact Mass | 403.91767 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8JI7Fwofyiz |
|---|---|
| Name | Fumaric acid, di(2,6-dichlorophenyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 403.917669534 u |
| Formula | C16H8Cl4O4 |
| InChI | InChI=1S/C16H8Cl4O4/c17-9-3-1-4-10(18)15(9)23-13(21)7-8-14(22)24-16-11(19)5-2-6-12(16)20/h1-8H/b8-7+ |
| InChIKey | AVYNDHGMMHFMOJ-BQYQJAHWSA-N |
| Molecular Weight | 406.048 g/mol |
| SMILES | C1=CC(=C(C(=C1)Cl)OC(\C=C\C(OC1=C(C=CC=C1Cl)Cl)=O)=O)Cl |