| SpectraBase Compound ID | K3FwWa2FHyb |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-5-6-9-14(4)20-16(18)11-10-15(17)19-12-7-8-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | LNZGJSYZGVPIPE-ZHACJKMWSA-N |
| Mol Weight | 284.4 g/mol |
| Molecular Formula | C16H28O4 |
| Exact Mass | 284.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KFpFNcOXlel |
|---|---|
| Name | Fumaric acid, 2-hexyl isohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 284.198759378 u |
| Formula | C16H28O4 |
| InChI | InChI=1S/C16H28O4/c1-5-6-9-14(4)20-16(18)11-10-15(17)19-12-7-8-13(2)3/h10-11,13-14H,5-9,12H2,1-4H3/b11-10+ |
| InChIKey | LNZGJSYZGVPIPE-ZHACJKMWSA-N |
| SMILES | C(OC(C)CCCC)(\C=C\C(OCCCC(C)C)=O)=O |