| SpectraBase Compound ID | 1HAd8vLYr3K |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-12(2)8-7-11-19-14(17)9-10-15(18)20-13(3)16(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+ |
| InChIKey | ZSHFSZYYZVMBRZ-MDZDMXLPSA-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 | HWNd20beMbO |
|---|---|
| Name | Fumaric acid, 3,3-dimethylbut-2-yl 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/c1-12(2)8-7-11-19-14(17)9-10-15(18)20-13(3)16(4,5)6/h9-10,12-13H,7-8,11H2,1-6H3/b10-9+ |
| InChIKey | ZSHFSZYYZVMBRZ-MDZDMXLPSA-N |
| SMILES | C(OC(C(C)(C)C)C)(\C=C\C(OCCCC(C)C)=O)=O |