| SpectraBase Compound ID | 3B3q6bfsHd9 |
|---|---|
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-20-15-12-11-14-19(20)4-2/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+ |
| InChIKey | QUVQNXBXUHTMFX-WUKNDPDISA-N |
| Mol Weight | 366.5 g/mol |
| Molecular Formula | C22H38O4 |
| Exact Mass | 366.27701 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1u3MAjCxhE9 |
|---|---|
| Name | Fumaric acid, decyl 2-ethylcyclohexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 366.277009700 u |
| Formula | C22H38O4 |
| InChI | InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-20-15-12-11-14-19(20)4-2/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+ |
| InChIKey | QUVQNXBXUHTMFX-WUKNDPDISA-N |
| Molecular Weight | 366.542 g/mol |
| SMILES | CCC1C(CCCC1)OC(\C=C\C(OCCCCCCCCCC)=O)=O |