| SpectraBase Compound ID | 4qpDEd4iarD |
|---|---|
| InChI | InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-27-23(25)19-20-24(26)28-22-17-16-18-22/h19-20,22H,2-18,21H2,1H3/b20-19+ |
| InChIKey | YPBBRLKEZCTUMD-FMQUCBEESA-N |
| Mol Weight | 394.6 g/mol |
| Molecular Formula | C24H42O4 |
| Exact Mass | 394.30831 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | MlgsOglQaP |
|---|---|
| Name | Fumaric acid, cyclobutyl hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 394.308309828 u |
| Formula | C24H42O4 |
| InChI | InChI=1S/C24H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-27-23(25)19-20-24(26)28-22-17-16-18-22/h19-20,22H,2-18,21H2,1H3/b20-19+ |
| InChIKey | YPBBRLKEZCTUMD-FMQUCBEESA-N |
| Molecular Weight | 394.596 g/mol |
| SMILES | C(OC1CCC1)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O |