| SpectraBase Compound ID | F0eyH9HVWuN |
|---|---|
| InChI | InChI=1S/C15H22O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | AKJGPUQBWXNNJN-CMDGGOBGSA-N |
| Mol Weight | 266.34 g/mol |
| Molecular Formula | C15H22O4 |
| Exact Mass | 266.151809 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8LkKMI1PTKb |
|---|---|
| Name | Fumaric acid, cyclohex-3-enylmethyl isobutyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.151809184 u |
| Formula | C15H22O4 |
| InChI | InChI=1S/C15H22O4/c1-12(2)10-18-14(16)8-9-15(17)19-11-13-6-4-3-5-7-13/h3-4,8-9,12-13H,5-7,10-11H2,1-2H3/b9-8+ |
| InChIKey | AKJGPUQBWXNNJN-CMDGGOBGSA-N |
| Molecular Weight | 266.337 g/mol |
| SMILES | C1=CCC(CC1)COC(\C=C\C(OCC(C)C)=O)=O |