| SpectraBase Compound ID | G3i85P62pnN |
|---|---|
| InChI | InChI=1S/C20H34Cl2O4/c21-15-9-5-1-3-7-11-17-25-19(23)13-14-20(24)26-18-12-8-4-2-6-10-16-22/h13-14H,1-12,15-18H2/b14-13+ |
| InChIKey | QMQZGFHUZRFAIY-BUHFOSPRSA-N |
| Mol Weight | 409.4 g/mol |
| Molecular Formula | C20H34Cl2O4 |
| Exact Mass | 408.183415 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EkyUQ04hcxV |
|---|---|
| Name | Fumaric acid, di(8-chlorooctyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.183414971 u |
| Formula | C20H34Cl2O4 |
| InChI | InChI=1S/C20H34Cl2O4/c21-15-9-5-1-3-7-11-17-25-19(23)13-14-20(24)26-18-12-8-4-2-6-10-16-22/h13-14H,1-12,15-18H2/b14-13+ |
| InChIKey | QMQZGFHUZRFAIY-BUHFOSPRSA-N |
| Molecular Weight | 409.394 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OCCCCCCCCCl)=O |