| SpectraBase Compound ID | FHUZw01tVmB |
|---|---|
| InChI | InChI=1S/C21H36O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-4-2/h13-14,16-17H,3-12,15,18-19H2,1-2H3/b14-13+,17-16+ |
| InChIKey | GMIULCVRRHFMOX-VLDVYECUSA-N |
| Mol Weight | 352.5 g/mol |
| Molecular Formula | C21H36O4 |
| Exact Mass | 352.26136 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AnFxTPNYTpr |
|---|---|
| Name | Fumaric acid, propyl tetradec-3-enyl 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/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-25-21(23)17-16-20(22)24-18-4-2/h13-14,16-17H,3-12,15,18-19H2,1-2H3/b14-13+,17-16+ |
| InChIKey | GMIULCVRRHFMOX-VLDVYECUSA-N |
| Molecular Weight | 352.515 g/mol |
| SMILES | C(\C=C\C(OCCC)=O)(OCC\C=C\CCCCCCCCCC)=O |