| SpectraBase Compound ID | 5WFxpcRZKRU |
|---|---|
| InChI | InChI=1S/C20H35ClO4/c1-3-5-12-18(4-2)17-25-20(23)14-13-19(22)24-16-11-9-7-6-8-10-15-21/h13-14,18H,3-12,15-17H2,1-2H3/b14-13+ |
| InChIKey | CDGICESZGJASDK-BUHFOSPRSA-N |
| Mol Weight | 374.9 g/mol |
| Molecular Formula | C20H35ClO4 |
| Exact Mass | 374.222387 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 58uIAiq4Z7K |
|---|---|
| Name | Fumaric acid, 2-ethylhexyl 8-chlorooctyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 374.222387303 u |
| Formula | C20H35ClO4 |
| InChI | InChI=1S/C20H35ClO4/c1-3-5-12-18(4-2)17-25-20(23)14-13-19(22)24-16-11-9-7-6-8-10-15-21/h13-14,18H,3-12,15-17H2,1-2H3/b14-13+ |
| InChIKey | CDGICESZGJASDK-BUHFOSPRSA-N |
| Molecular Weight | 374.949 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCCCl)=O)(OCC(CC)CCCC)=O |