| SpectraBase Compound ID | GEJ6FxNWYap |
|---|---|
| InChI | InChI=1S/C17H12Cl2O4/c18-13-6-4-12(5-7-13)11-22-16(20)8-9-17(21)23-15-3-1-2-14(19)10-15/h1-10H,11H2/b9-8+ |
| InChIKey | KZGJOLRIXGDDHS-CMDGGOBGSA-N |
| Mol Weight | 351.19 g/mol |
| Molecular Formula | C17H12Cl2O4 |
| Exact Mass | 350.011264 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KAx4jjxaqPD |
|---|---|
| Name | Fumaric acid, 4-chlorobenzyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 350.011264262 u |
| Formula | C17H12Cl2O4 |
| InChI | InChI=1S/C17H12Cl2O4/c18-13-6-4-12(5-7-13)11-22-16(20)8-9-17(21)23-15-3-1-2-14(19)10-15/h1-10H,11H2/b9-8+ |
| InChIKey | KZGJOLRIXGDDHS-CMDGGOBGSA-N |
| Molecular Weight | 351.185 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OCC1=CC=C(C=C1)Cl)=O |