| SpectraBase Compound ID | 2BQ4EDqfVDy |
|---|---|
| InChI | InChI=1S/C15H24O4/c1-12(2)6-5-10-18-14(16)7-8-15(17)19-11-9-13(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+ |
| InChIKey | WQSUPCPVFCEQLY-BQYQJAHWSA-N |
| Mol Weight | 268.35 g/mol |
| Molecular Formula | C15H24O4 |
| Exact Mass | 268.167459 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1xJDInng9DT |
|---|---|
| Name | Fumaric acid, isohexyl 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 | 268.167459249 u |
| Formula | C15H24O4 |
| InChI | InChI=1S/C15H24O4/c1-12(2)6-5-10-18-14(16)7-8-15(17)19-11-9-13(3)4/h7-9,12H,5-6,10-11H2,1-4H3/b8-7+ |
| InChIKey | WQSUPCPVFCEQLY-BQYQJAHWSA-N |
| Molecular Weight | 268.353 g/mol |
| SMILES | C(COC(\C=C\C(OCCCC(C)C)=O)=O)=C(C)C |