| SpectraBase Compound ID | 9HbPy87jmnk |
|---|---|
| InChI | InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-12-15-20-26-22(24)18-19-23(25)27-21-16-13-10-11-14-17-21/h18-19,21H,2-17,20H2,1H3/b19-18+ |
| InChIKey | JKPFJLNGUCZYPS-VHEBQXMUSA-N |
| Mol Weight | 380.6 g/mol |
| Molecular Formula | C23H40O4 |
| Exact Mass | 380.29266 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BWI5tKmLQn0 |
|---|---|
| Name | Fumaric acid, cycloheptyl dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.292659764 u |
| Formula | C23H40O4 |
| InChI | InChI=1S/C23H40O4/c1-2-3-4-5-6-7-8-9-12-15-20-26-22(24)18-19-23(25)27-21-16-13-10-11-14-17-21/h18-19,21H,2-17,20H2,1H3/b19-18+ |
| InChIKey | JKPFJLNGUCZYPS-VHEBQXMUSA-N |
| Molecular Weight | 380.569 g/mol |
| SMILES | C1C(CCCCC1)OC(\C=C\C(OCCCCCCCCCCCC)=O)=O |