| SpectraBase Compound ID | 7Ic1aRKY1Si |
|---|---|
| InChI | InChI=1S/C18H22Cl2O4/c1-2-3-4-5-6-7-12-23-17(21)10-11-18(22)24-16-9-8-14(19)13-15(16)20/h8-11,13H,2-7,12H2,1H3/b11-10+ |
| InChIKey | PWJGICTYGQUXTB-ZHACJKMWSA-N |
| Mol Weight | 373.28 g/mol |
| Molecular Formula | C18H22Cl2O4 |
| Exact Mass | 372.089515 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8NHr8O2nmka |
|---|---|
| Name | Fumaric acid, 2,4-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/c1-2-3-4-5-6-7-12-23-17(21)10-11-18(22)24-16-9-8-14(19)13-15(16)20/h8-11,13H,2-7,12H2,1H3/b11-10+ |
| InChIKey | PWJGICTYGQUXTB-ZHACJKMWSA-N |
| Molecular Weight | 373.276 g/mol |
| SMILES | CCCCCCCCOC(\C=C\C(OC1=CC=C(C=C1Cl)Cl)=O)=O |