| SpectraBase Compound ID | HOrFouJWHml |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h10-11,16-17H,3-9,12-15,18-19H2,1-2H3/b11-10+,17-16+ |
| InChIKey | WYMUALCJGUACCM-DUWBUDFISA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | AXqjlmRq6A9 |
|---|---|
| Name | Fumaric acid, dec-4-enyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 352.261359635 u |
| Formula | C21H36O4 |
| InChI | InChI=1S/C21H36O4/c1-3-5-7-9-10-11-13-15-19-25-21(23)17-16-20(22)24-18-14-12-8-6-4-2/h10-11,16-17H,3-9,12-15,18-19H2,1-2H3/b11-10+,17-16+ |
| InChIKey | WYMUALCJGUACCM-DUWBUDFISA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(OCCC\C=C\CCCCC)(\C=C\C(OCCCCCCC)=O)=O |