| SpectraBase Compound ID | RZtW5LxqAO |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h9-12H,1-8H3/b10-9+ |
| InChIKey | KWLHKXVMTJVPQF-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 | 2ixjoYO2OIr |
|---|---|
| Name | Fumaric acid, di(3,3-dimethylbut-2-yl) 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/c1-11(15(3,4)5)19-13(17)9-10-14(18)20-12(2)16(6,7)8/h9-12H,1-8H3/b10-9+ |
| InChIKey | KWLHKXVMTJVPQF-MDZDMXLPSA-N |
| SMILES | C(OC(C(C)(C)C)C)(\C=C\C(OC(C(C)(C)C)C)=O)=O |