| SpectraBase Compound ID | GL00cBGGsCj |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h6,8,12-13H,3-5,7,9-11,14-15H2,1-2H3/b8-6+,13-12+ |
| InChIKey | BCEIUXPWGYTDGB-JQAHBYNNSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IvsRAWoqFhw |
|---|---|
| Name | Fumaric acid, heptyl trans-hex-3-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/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h6,8,12-13H,3-5,7,9-11,14-15H2,1-2H3/b8-6+,13-12+ |
| InChIKey | BCEIUXPWGYTDGB-JQAHBYNNSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(OCC\C=C\CC)(\C=C\C(OCCCCCCC)=O)=O |