| SpectraBase Compound ID | 5Kvxq353WHK |
|---|---|
| InChI | InChI=1S/C16H10Cl2O4/c17-11-4-6-13(7-5-11)21-15(19)8-9-16(20)22-14-3-1-2-12(18)10-14/h1-10H/b9-8+ |
| InChIKey | JFCKNIYTEHGGNK-CMDGGOBGSA-N |
| Mol Weight | 337.16 g/mol |
| Molecular Formula | C16H10Cl2O4 |
| Exact Mass | 335.995614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B3M4WJYWkuf |
|---|---|
| Name | Fumaric acid, 4-chlorophenyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.995614198 u |
| Formula | C16H10Cl2O4 |
| InChI | InChI=1S/C16H10Cl2O4/c17-11-4-6-13(7-5-11)21-15(19)8-9-16(20)22-14-3-1-2-12(18)10-14/h1-10H/b9-8+ |
| InChIKey | JFCKNIYTEHGGNK-CMDGGOBGSA-N |
| Molecular Weight | 337.158 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC1=CC=C(C=C1)Cl)=O |