| SpectraBase Compound ID | 5MK5dTnmJqW |
|---|---|
| InChI | InChI=1S/C16H8Cl4O4/c17-9-1-3-11(4-2-9)23-14(21)5-6-15(22)24-16-12(19)7-10(18)8-13(16)20/h1-8H/b6-5+ |
| InChIKey | YTZAOGZOZASQRM-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 | EBR99yjAN38 |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl 2,4,6-trichlorophenyl 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/c17-9-1-3-11(4-2-9)23-14(21)5-6-15(22)24-16-12(19)7-10(18)8-13(16)20/h1-8H/b6-5+ |
| InChIKey | YTZAOGZOZASQRM-AATRIKPKSA-N |
| Molecular Weight | 406.048 g/mol |
| SMILES | C(\C=C\C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)(OC1=CC=C(C=C1)Cl)=O |