| SpectraBase Compound ID | 3XwF3LOq9r9 |
|---|---|
| InChI | InChI=1S/C13H20O4/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7+ |
| InChIKey | HHXQOEXPOISSEC-BQYQJAHWSA-N |
| Mol Weight | 240.3 g/mol |
| Molecular Formula | C13H20O4 |
| Exact Mass | 240.136159 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Bql0Sp2F34Z |
|---|---|
| Name | Fumaric acid, isobutyl pent-4-enyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.136159120 u |
| Formula | C13H20O4 |
| InChI | InChI=1S/C13H20O4/c1-4-5-6-9-16-12(14)7-8-13(15)17-10-11(2)3/h4,7-8,11H,1,5-6,9-10H2,2-3H3/b8-7+ |
| InChIKey | HHXQOEXPOISSEC-BQYQJAHWSA-N |
| Molecular Weight | 240.299 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCCCC=C)=O |