| SpectraBase Compound ID | AV042bAsugh |
|---|---|
| InChI | InChI=1S/C12H10Cl2O4/c1-2-17-11(15)5-6-12(16)18-10-4-3-8(13)7-9(10)14/h3-7H,2H2,1H3/b6-5+ |
| InChIKey | MAXKNZKDJCOJME-AATRIKPKSA-N |
| Mol Weight | 289.11 g/mol |
| Molecular Formula | C12H10Cl2O4 |
| Exact Mass | 287.995614 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ZfZus3rarv |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.995614198 u |
| Formula | C12H10Cl2O4 |
| InChI | InChI=1S/C12H10Cl2O4/c1-2-17-11(15)5-6-12(16)18-10-4-3-8(13)7-9(10)14/h3-7H,2H2,1H3/b6-5+ |
| InChIKey | MAXKNZKDJCOJME-AATRIKPKSA-N |
| Molecular Weight | 289.114 g/mol |
| SMILES | C1(=CC(Cl)=C(OC(\C=C\C(OCC)=O)=O)C=C1)Cl |