| SpectraBase Compound ID | DrduNu4Equp |
|---|---|
| InChI | InChI=1S/C20H36O4/c1-4-7-9-10-11-12-16-23-19(21)14-15-20(22)24-17-18(6-3)13-8-5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14+ |
| InChIKey | GXKMDEGFFRZOAS-CCEZHUSRSA-N |
| Mol Weight | 340.5 g/mol |
| Molecular Formula | C20H36O4 |
| Exact Mass | 340.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 26VX3zek4cc |
|---|---|
| Name | Fumaric acid, 2-ethylhexyl octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.261359635 u |
| Formula | C20H36O4 |
| InChI | InChI=1S/C20H36O4/c1-4-7-9-10-11-12-16-23-19(21)14-15-20(22)24-17-18(6-3)13-8-5-2/h14-15,18H,4-13,16-17H2,1-3H3/b15-14+ |
| InChIKey | GXKMDEGFFRZOAS-CCEZHUSRSA-N |
| Molecular Weight | 340.504 g/mol |
| SMILES | CCCCCCCCOC(\C=C\C(OCC(CCCC)CC)=O)=O |