| SpectraBase Compound ID | 4PLR9IqKTBh |
|---|---|
| InChI | InChI=1S/C14H14Cl2O4/c1-2-3-9-19-12(17)7-8-13(18)20-14-10(15)5-4-6-11(14)16/h4-8H,2-3,9H2,1H3/b8-7+ |
| InChIKey | KYXSOLUYKSUIMK-BQYQJAHWSA-N |
| Mol Weight | 317.17 g/mol |
| Molecular Formula | C14H14Cl2O4 |
| Exact Mass | 316.026914 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4T5kWAOtHXq |
|---|---|
| Name | Fumaric acid, butyl 2,6-dichlorophenyl 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/c1-2-3-9-19-12(17)7-8-13(18)20-14-10(15)5-4-6-11(14)16/h4-8H,2-3,9H2,1H3/b8-7+ |
| InChIKey | KYXSOLUYKSUIMK-BQYQJAHWSA-N |
| Molecular Weight | 317.168 g/mol |
| SMILES | C1(=C(C(=CC=C1)Cl)OC(\C=C\C(OCCCC)=O)=O)Cl |