| SpectraBase Compound ID | 5VX7RFTBB8i |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-13(2)9-10-20-15(18)7-8-16(19)21-12-14(3)11-17(4,5)6/h7-9,14H,10-12H2,1-6H3/b8-7+ |
| InChIKey | CXDHWWCAHRQJTH-BQYQJAHWSA-N |
| Mol Weight | 296.41 g/mol |
| Molecular Formula | C17H28O4 |
| Exact Mass | 296.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7zZh52MCedr |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-en-1-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.198759378 u |
| Formula | C17H28O4 |
| InChI | InChI=1S/C17H28O4/c1-13(2)9-10-20-15(18)7-8-16(19)21-12-14(3)11-17(4,5)6/h7-9,14H,10-12H2,1-6H3/b8-7+ |
| InChIKey | CXDHWWCAHRQJTH-BQYQJAHWSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(\C=C\C(OCC=C(C)C)=O)(OCC(CC(C)(C)C)C)=O |