| SpectraBase Compound ID | 1sd1JP9PelT |
|---|---|
| InChI | InChI=1S/C15H16Cl2O4/c1-9(2)10(3)20-14(18)6-7-15(19)21-13-5-4-11(16)8-12(13)17/h4-10H,1-3H3/b7-6+ |
| InChIKey | OGYGXLXKIAPJHA-VOTSOKGWSA-N |
| Mol Weight | 331.2 g/mol |
| Molecular Formula | C15H16Cl2O4 |
| Exact Mass | 330.042564 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CfI3PwUChOc |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 330.042564391 u |
| Formula | C15H16Cl2O4 |
| InChI | InChI=1S/C15H16Cl2O4/c1-9(2)10(3)20-14(18)6-7-15(19)21-13-5-4-11(16)8-12(13)17/h4-10H,1-3H3/b7-6+ |
| InChIKey | OGYGXLXKIAPJHA-VOTSOKGWSA-N |
| Molecular Weight | 331.195 g/mol |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OC1=C(C=C(C=C1)Cl)Cl)=O |