| SpectraBase Compound ID | KqIgao6sIun |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-4-7-9-10-14-20-16(18)12-13-17(19)21-15(6-3)11-8-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | XAUUQIKPJURQKO-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 | 4lYUEeHyoQn |
|---|---|
| Name | Fumaric acid, 3-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/c1-4-7-9-10-14-20-16(18)12-13-17(19)21-15(6-3)11-8-5-2/h12-13,15H,4-11,14H2,1-3H3/b13-12+ |
| InChIKey | XAUUQIKPJURQKO-OUKQBFOZSA-N |
| SMILES | C(OC(CC)CCCC)(\C=C\C(OCCCCCC)=O)=O |