| SpectraBase Compound ID | HcUekoD0Maq |
|---|---|
| InChI | InChI=1S/C16H9Cl3O4/c17-10-3-1-4-11(9-10)22-14(20)7-8-15(21)23-16-12(18)5-2-6-13(16)19/h1-9H/b8-7+ |
| InChIKey | WUPTYAPXYVSYDZ-BQYQJAHWSA-N |
| Mol Weight | 371.6 g/mol |
| Molecular Formula | C16H9Cl3O4 |
| Exact Mass | 369.956642 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | MtV7uB7Khl |
|---|---|
| Name | Fumaric acid, 2,6-dichlorophenyl 3-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 369.956641866 u |
| Formula | C16H9Cl3O4 |
| InChI | InChI=1S/C16H9Cl3O4/c17-10-3-1-4-11(9-10)22-14(20)7-8-15(21)23-16-12(18)5-2-6-13(16)19/h1-9H/b8-7+ |
| InChIKey | WUPTYAPXYVSYDZ-BQYQJAHWSA-N |
| Molecular Weight | 371.603 g/mol |
| SMILES | C(\C=C\C(OC1=CC(=CC=C1)Cl)=O)(OC1=C(C=CC=C1Cl)Cl)=O |