| SpectraBase Compound ID | 6lVchJELpy8 |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+ |
| InChIKey | KBNAFOHVDNHYOS-OUKQBFOZSA-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 | DAy84zvohfp |
|---|---|
| Name | Fumaric acid, octyl pent-4-enyl 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/c1-3-5-7-8-9-11-15-21-17(19)13-12-16(18)20-14-10-6-4-2/h4,12-13H,2-3,5-11,14-15H2,1H3/b13-12+ |
| InChIKey | KBNAFOHVDNHYOS-OUKQBFOZSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(\C=C\C(OCCCCCCCC)=O)(OCCCC=C)=O |