| SpectraBase Compound ID | A9jjXBBi4VK |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+ |
| InChIKey | IMFFAGVOBYRNCW-OUKQBFOZSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | E24EkiVkw8Q |
|---|---|
| Name | Fumaric acid, heptyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-3-5-7-9-11-15-21-17(19)13-12-16(18)20-14-10-8-6-4-2/h12-13H,3-11,14-15H2,1-2H3/b13-12+ |
| InChIKey | IMFFAGVOBYRNCW-OUKQBFOZSA-N |
| SMILES | C(\C=C\C(OCCCCCCC)=O)(OCCCCCC)=O |