| SpectraBase Compound ID | 2AL8U6remNA |
|---|---|
| InChI | InChI=1S/C16H26Cl2O4/c17-11-5-1-3-7-13-21-15(19)9-10-16(20)22-14-8-4-2-6-12-18/h9-10H,1-8,11-14H2/b10-9+ |
| InChIKey | PDYLRYYWGWXFNV-MDZDMXLPSA-N |
| Mol Weight | 353.29 g/mol |
| Molecular Formula | C16H26Cl2O4 |
| Exact Mass | 352.120815 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HY61kuM408p |
|---|---|
| Name | Fumaric acid, di(6-chlorohexyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.120814713 u |
| Formula | C16H26Cl2O4 |
| InChI | InChI=1S/C16H26Cl2O4/c17-11-5-1-3-7-13-21-15(19)9-10-16(20)22-14-8-4-2-6-12-18/h9-10H,1-8,11-14H2/b10-9+ |
| InChIKey | PDYLRYYWGWXFNV-MDZDMXLPSA-N |
| Molecular Weight | 353.286 g/mol |
| SMILES | C(CCCCCOC(\C=C\C(OCCCCCCCl)=O)=O)Cl |