| SpectraBase Compound ID | 54AJ0jrfLmx |
|---|---|
| InChI | InChI=1S/C14H14Cl2O4/c1-2-3-6-19-13(17)4-5-14(18)20-12-8-10(15)7-11(16)9-12/h4-5,7-9H,2-3,6H2,1H3/b5-4+ |
| InChIKey | OWQDNEANEOIMEX-SNAWJCMRSA-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 | n6EX5CsQo2 |
|---|---|
| Name | Fumaric acid, butyl 3,5-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/c1-2-3-6-19-13(17)4-5-14(18)20-12-8-10(15)7-11(16)9-12/h4-5,7-9H,2-3,6H2,1H3/b5-4+ |
| InChIKey | OWQDNEANEOIMEX-SNAWJCMRSA-N |
| Molecular Weight | 317.168 g/mol |
| SMILES | C1=C(C=C(OC(\C=C\C(OCCCC)=O)=O)C=C1Cl)Cl |