| SpectraBase Compound ID | 2UY1dfSN2aQ |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9,12-13H,3-7,10-11,14-15H2,1-2H3/b9-8+,13-12+ |
| InChIKey | KRWQCOUOOVIGML-AFAJWACHSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 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 | 5Sjc2FNWoTf |
|---|---|
| Name | Fumaric acid, dec-4-enyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-3-5-6-7-8-9-10-11-15-21-17(19)13-12-16(18)20-14-4-2/h8-9,12-13H,3-7,10-11,14-15H2,1-2H3/b9-8+,13-12+ |
| InChIKey | KRWQCOUOOVIGML-AFAJWACHSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(OCCC\C=C\CCCCC)(\C=C\C(OCCC)=O)=O |