| SpectraBase Compound ID | 2yyMedrhwDu |
|---|---|
| InChI | InChI=1S/C17H30O4/c1-12(2)14(4)21-16(19)9-8-15(18)20-11-13(3)10-17(5,6)7/h8-9,12-14H,10-11H2,1-7H3/b9-8+ |
| InChIKey | ULINRDVYPHZRRN-CMDGGOBGSA-N |
| Mol Weight | 298.42 g/mol |
| Molecular Formula | C17H30O4 |
| Exact Mass | 298.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9GuJrnBlkDY |
|---|---|
| Name | Fumaric acid, 2,4,4-trimethylpentyl 3-methylbut-2-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.214409442 u |
| Formula | C17H30O4 |
| InChI | InChI=1S/C17H30O4/c1-12(2)14(4)21-16(19)9-8-15(18)20-11-13(3)10-17(5,6)7/h8-9,12-14H,10-11H2,1-7H3/b9-8+ |
| InChIKey | ULINRDVYPHZRRN-CMDGGOBGSA-N |
| SMILES | C(\C=C\C(OC(C(C)C)C)=O)(OCC(CC(C)(C)C)C)=O |