| SpectraBase Compound ID | IXzpAlYblcJ |
|---|---|
| InChI | InChI=1S/C18H22Cl2O4/c1-2-3-4-5-6-7-13-23-16(21)11-12-17(22)24-15-10-8-9-14(19)18(15)20/h8-12H,2-7,13H2,1H3/b12-11+ |
| InChIKey | LTWIMPVGEWVKCW-VAWYXSNFSA-N |
| Mol Weight | 373.28 g/mol |
| Molecular Formula | C18H22Cl2O4 |
| Exact Mass | 372.089515 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 | 2zoTVWedFEZ |
|---|---|
| Name | Fumaric acid, 2,3-dichlorophenyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.089514584 u |
| Formula | C18H22Cl2O4 |
| InChI | InChI=1S/C18H22Cl2O4/c1-2-3-4-5-6-7-13-23-16(21)11-12-17(22)24-15-10-8-9-14(19)18(15)20/h8-12H,2-7,13H2,1H3/b12-11+ |
| InChIKey | LTWIMPVGEWVKCW-VAWYXSNFSA-N |
| Molecular Weight | 373.276 g/mol |
| SMILES | C(\C=C\C(OC1=CC=CC(=C1Cl)Cl)=O)(OCCCCCCCC)=O |