| SpectraBase Compound ID | Aq1g4qdIQ5Q |
|---|---|
| InChI | InChI=1S/C14H14Cl2O4/c1-9(2)8-19-13(17)5-6-14(18)20-12-4-3-10(15)7-11(12)16/h3-7,9H,8H2,1-2H3/b6-5+ |
| InChIKey | SVHPLVKQOPFDPA-AATRIKPKSA-N |
| Mol Weight | 317.17 g/mol |
| Molecular Formula | C14H14Cl2O4 |
| Exact Mass | 316.026914 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 | 7MhlO6qstkI |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 316.026914327 u |
| Formula | C14H14Cl2O4 |
| InChI | InChI=1S/C14H14Cl2O4/c1-9(2)8-19-13(17)5-6-14(18)20-12-4-3-10(15)7-11(12)16/h3-7,9H,8H2,1-2H3/b6-5+ |
| InChIKey | SVHPLVKQOPFDPA-AATRIKPKSA-N |
| Molecular Weight | 317.168 g/mol |
| SMILES | C1=C(C(=CC(=C1)Cl)Cl)OC(\C=C\C(OCC(C)C)=O)=O |