| SpectraBase Compound ID | 6qhMXiCEAx2 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-4-6-7-8-12-19-15(17)10-11-16(18)20-13-14(3)9-5-2/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+ |
| InChIKey | PDXREHWVPLHRJD-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 | 42isIvw4gEu |
|---|---|
| Name | Fumaric acid, hexyl 2-methylpentyl 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/c1-4-6-7-8-12-19-15(17)10-11-16(18)20-13-14(3)9-5-2/h10-11,14H,4-9,12-13H2,1-3H3/b11-10+ |
| InChIKey | PDXREHWVPLHRJD-ZHACJKMWSA-N |
| SMILES | C(OCC(C)CCC)(\C=C\C(OCCCCCC)=O)=O |