| SpectraBase Compound ID | XpN4mweCpz |
|---|---|
| InChI | InChI=1S/C17H28O4/c1-4-5-6-7-8-9-10-13-20-16(18)11-12-17(19)21-14-15(2)3/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3/b9-8-,12-11+ |
| InChIKey | BDDBPKMOUGINEJ-UONSLQGUSA-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 | 8nWVBO6T6yP |
|---|---|
| Name | Fumaric acid, cis-non-3-enyl isobutyl 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/c1-4-5-6-7-8-9-10-13-20-16(18)11-12-17(19)21-14-15(2)3/h8-9,11-12,15H,4-7,10,13-14H2,1-3H3/b9-8-,12-11+ |
| InChIKey | BDDBPKMOUGINEJ-UONSLQGUSA-N |
| Molecular Weight | 296.407 g/mol |
| SMILES | C(\C=C\C(OCC(C)C)=O)(OCC\C=C/CCCCC)=O |