| SpectraBase Compound ID | AVm8cc3pGEy |
|---|---|
| InChI | InChI=1S/C24H44O4/c1-5-9-10-11-12-13-14-15-20-27-23(25)18-19-24(26)28-22(8-4)17-16-21(6-2)7-3/h18-19,21-22H,5-17,20H2,1-4H3/b19-18+ |
| InChIKey | BEIBGOQKGUNHQZ-VHEBQXMUSA-N |
| Mol Weight | 396.6 g/mol |
| Molecular Formula | C24H44O4 |
| Exact Mass | 396.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IsQ8jLU3vlP |
|---|---|
| Name | Fumaric acid, decyl 6-ethyloct-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 396.323959893 u |
| Formula | C24H44O4 |
| InChI | InChI=1S/C24H44O4/c1-5-9-10-11-12-13-14-15-20-27-23(25)18-19-24(26)28-22(8-4)17-16-21(6-2)7-3/h18-19,21-22H,5-17,20H2,1-4H3/b19-18+ |
| InChIKey | BEIBGOQKGUNHQZ-VHEBQXMUSA-N |
| Molecular Weight | 396.612 g/mol |
| SMILES | C(\C=C\C(OC(CCC(CC)CC)CC)=O)(OCCCCCCCCCC)=O |