| SpectraBase Compound ID | F6JVb9CIFb0 |
|---|---|
| InChI | InChI=1S/C15H16Cl2O4/c1-2-3-4-9-20-14(18)7-8-15(19)21-13-6-5-11(16)10-12(13)17/h5-8,10H,2-4,9H2,1H3/b8-7+ |
| InChIKey | WUUBSVHHQVQSEN-BQYQJAHWSA-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 | 3xXAhGeaKcD |
|---|---|
| Name | Fumaric acid, 2,4-dichlorophenyl pentyl 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/c1-2-3-4-9-20-14(18)7-8-15(19)21-13-6-5-11(16)10-12(13)17/h5-8,10H,2-4,9H2,1H3/b8-7+ |
| InChIKey | WUUBSVHHQVQSEN-BQYQJAHWSA-N |
| Molecular Weight | 331.195 g/mol |
| SMILES | C(OC1=CC=C(C=C1Cl)Cl)(\C=C\C(OCCCCC)=O)=O |