| SpectraBase Compound ID | DzQKdCobTw8 |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-11(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+ |
| InChIKey | NZQQFMVULBBDSP-BQYQJAHWSA-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 | HPnHGmHpOMq |
|---|---|
| Name | Fumaric acid, di(4-methylpent-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(2)9-13(5)19-15(17)7-8-16(18)20-14(6)10-12(3)4/h7-8,11-14H,9-10H2,1-6H3/b8-7+ |
| InChIKey | NZQQFMVULBBDSP-BQYQJAHWSA-N |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OC(C)CC(C)C)=O)=O |