| SpectraBase Compound ID | 4TPisHH5Nxv |
|---|---|
| InChI | InChI=1S/C16H28O4/c1-12(2)7-6-10-19-15(17)8-9-16(18)20-14(5)11-13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey | ZKBKQAWZYHAPAR-CMDGGOBGSA-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 | ApUIuQZlez4 |
|---|---|
| Name | Fumaric acid, isohexyl 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/c1-12(2)7-6-10-19-15(17)8-9-16(18)20-14(5)11-13(3)4/h8-9,12-14H,6-7,10-11H2,1-5H3/b9-8+ |
| InChIKey | ZKBKQAWZYHAPAR-CMDGGOBGSA-N |
| SMILES | C(OC(C)CC(C)C)(\C=C\C(OCCCC(C)C)=O)=O |