| SpectraBase Compound ID | CxfJvrRnFhq |
|---|---|
| InChI | InChI=1S/C15H16Cl2O4/c1-2-3-4-7-20-14(18)5-6-15(19)21-13-9-11(16)8-12(17)10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5+ |
| InChIKey | RXVXYTPKGNCKMZ-AATRIKPKSA-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 | 331LkkqeyJ2 |
|---|---|
| Name | Fumaric acid, 3,5-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/c1-2-3-4-7-20-14(18)5-6-15(19)21-13-9-11(16)8-12(17)10-13/h5-6,8-10H,2-4,7H2,1H3/b6-5+ |
| InChIKey | RXVXYTPKGNCKMZ-AATRIKPKSA-N |
| Molecular Weight | 331.195 g/mol |
| SMILES | C1=C(C=C(OC(\C=C\C(OCCCCC)=O)=O)C=C1Cl)Cl |