| SpectraBase Compound ID | CE0h55TvoXx |
|---|---|
| InChI | InChI=1S/C25H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-20-24(26)28-22-4-2/h20-21H,3-19,22-23H2,1-2H3/b21-20+ |
| InChIKey | YIENLVJYNQEFOY-QZQOTICOSA-N |
| Mol Weight | 410.6 g/mol |
| Molecular Formula | C25H46O4 |
| Exact Mass | 410.33961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 78wAjoCDiQX |
|---|---|
| Name | Fumaric acid, octadecyl propyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.339609957 u |
| Formula | C25H46O4 |
| InChI | InChI=1S/C25H46O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-29-25(27)21-20-24(26)28-22-4-2/h20-21H,3-19,22-23H2,1-2H3/b21-20+ |
| InChIKey | YIENLVJYNQEFOY-QZQOTICOSA-N |
| Molecular Weight | 410.639 g/mol |
| SMILES | C(CCCCCOC(\C=C\C(OCCC)=O)=O)CCCCCCCCCCCC |