| SpectraBase Compound ID | 3oiSGbHdGES |
|---|---|
| InChI | InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)19-18-22(24)26-20-4-2/h18-19H,3-17,20-21H2,1-2H3/b19-18+ |
| InChIKey | NVNSKQFDDKKODI-VHEBQXMUSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C23H42O4 |
| Exact Mass | 382.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | B4OYml52Eou |
|---|---|
| Name | Fumaric acid, hexadecyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.308309828 u |
| Formula | C23H42O4 |
| InChI | InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-27-23(25)19-18-22(24)26-20-4-2/h18-19H,3-17,20-21H2,1-2H3/b19-18+ |
| InChIKey | NVNSKQFDDKKODI-VHEBQXMUSA-N |
| Molecular Weight | 382.585 g/mol |
| SMILES | C(OC(\C=C\C(OCCC)=O)=O)CCCCCCCCCCCCCCC |