| SpectraBase Compound ID | FmeQUCrIjNJ |
|---|---|
| InChI | InChI=1S/C15H16Cl2O4/c16-13(17)11-21-15(19)9-8-14(18)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+ |
| InChIKey | ZEOSAQHXBMFYTC-CMDGGOBGSA-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 | 7UvMIG5aDIe |
|---|---|
| Name | Fumaric acid, 3-phenylpropyl 2,2-dichloroethyl 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/c16-13(17)11-21-15(19)9-8-14(18)20-10-4-7-12-5-2-1-3-6-12/h1-3,5-6,8-9,13H,4,7,10-11H2/b9-8+ |
| InChIKey | ZEOSAQHXBMFYTC-CMDGGOBGSA-N |
| Molecular Weight | 331.195 g/mol |
| SMILES | C(\C=C\C(OCC(Cl)Cl)=O)(OCCCC1=CC=CC=C1)=O |