| SpectraBase Compound ID | CPKiso1JWj9 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-7-13(11(3)4)19-15(17)9-10-16(18)20-14(8-2)12(5)6/h9-14H,7-8H2,1-6H3/b10-9+ |
| InChIKey | WQXYJBHHPWLNAO-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 | HuQyiY3N5sK |
|---|---|
| Name | Fumaric acid, di(2-methylpent-3-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/c1-7-13(11(3)4)19-15(17)9-10-16(18)20-14(8-2)12(5)6/h9-14H,7-8H2,1-6H3/b10-9+ |
| InChIKey | WQXYJBHHPWLNAO-MDZDMXLPSA-N |
| SMILES | C(OC(CC)C(C)C)(\C=C\C(OC(C(C)C)CC)=O)=O |