| SpectraBase Compound ID | FvWDfROfivr |
|---|---|
| InChI | InChI=1S/C16H8Cl4O4/c17-9-1-3-13(11(19)7-9)23-15(21)5-6-16(22)24-14-4-2-10(18)8-12(14)20/h1-8H/b6-5+ |
| InChIKey | LYENZPAFXQCIOX-AATRIKPKSA-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 | 6j5Pqt3Htvc |
|---|---|
| Name | Fumaric acid, di(2,4-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/c17-9-1-3-13(11(19)7-9)23-15(21)5-6-16(22)24-14-4-2-10(18)8-12(14)20/h1-8H/b6-5+ |
| InChIKey | LYENZPAFXQCIOX-AATRIKPKSA-N |
| Molecular Weight | 406.048 g/mol |
| SMILES | C1(=CC=C(C=C1Cl)Cl)OC(\C=C\C(=O)OC1=C(C=C(C=C1)Cl)Cl)=O |