| SpectraBase Compound ID | HC98irRjeOz |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-6-7-8-9-10-14-20-16(18)12-13-17(19)21-15(3)11-5-2/h5,12-13,15H,2,4,6-11,14H2,1,3H3/b13-12+ |
| InChIKey | UHWGIXWBHFFSQP-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 | 6j4tpAqnrhs |
|---|---|
| Name | Fumaric acid, octyl pent-4-en-2-yl 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/c1-4-6-7-8-9-10-14-20-16(18)12-13-17(19)21-15(3)11-5-2/h5,12-13,15H,2,4,6-11,14H2,1,3H3/b13-12+ |
| InChIKey | UHWGIXWBHFFSQP-OUKQBFOZSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C=CCC(OC(\C=C\C(OCCCCCCCC)=O)=O)C |