| SpectraBase Compound ID | 4zBOLYc0EVz |
|---|---|
| InChI | InChI=1S/C15H26O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h7-8,10-12,15H,9H2,1-6H3/b8-7+ |
| InChIKey | QANAKYZRMNKEAK-BQYQJAHWSA-N |
| Mol Weight | 270.37 g/mol |
| Molecular Formula | C15H26O4 |
| Exact Mass | 270.183109 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6IzLVhavATg |
|---|---|
| Name | Fumaric acid, 2,4-dimethylpent-3-yl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 270.183109313 u |
| Formula | C15H26O4 |
| InChI | InChI=1S/C15H26O4/c1-10(2)9-18-13(16)7-8-14(17)19-15(11(3)4)12(5)6/h7-8,10-12,15H,9H2,1-6H3/b8-7+ |
| InChIKey | QANAKYZRMNKEAK-BQYQJAHWSA-N |
| Molecular Weight | 270.369 g/mol |
| SMILES | C(OC(C(C)C)C(C)C)(\C=C\C(OCC(C)C)=O)=O |