| SpectraBase Compound ID | GDPNEZ26xM0 |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-2-3-4-9-14-20-16(18)12-13-17(19)21-15-10-7-5-6-8-11-15/h12-13,15H,2-11,14H2,1H3/b13-12+ |
| InChIKey | RBEBANUYZMDAAN-OUKQBFOZSA-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 | 9eqDmXpDEX5 |
|---|---|
| Name | Fumaric acid, cycloheptyl hexyl 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/c1-2-3-4-9-14-20-16(18)12-13-17(19)21-15-10-7-5-6-8-11-15/h12-13,15H,2-11,14H2,1H3/b13-12+ |
| InChIKey | RBEBANUYZMDAAN-OUKQBFOZSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C1C(CCCCC1)OC(\C=C\C(OCCCCCC)=O)=O |