| SpectraBase Compound ID | 7ye2EvlkHUJ |
|---|---|
| InChI | InChI=1S/C25H44O4/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/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+ |
| InChIKey | YFXRVAPLSJHMGG-QZQOTICOSA-N |
| Mol Weight | 408.6 g/mol |
| Molecular Formula | C25H44O4 |
| Exact Mass | 408.32396 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 933DuUnNHQ8 |
|---|---|
| Name | Fumaric acid, allyl octadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 408.323959893 u |
| Formula | C25H44O4 |
| InChI | InChI=1S/C25H44O4/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/h4,20-21H,2-3,5-19,22-23H2,1H3/b21-20+ |
| InChIKey | YFXRVAPLSJHMGG-QZQOTICOSA-N |
| Molecular Weight | 408.623 g/mol |
| SMILES | C(CCCCOC(\C=C\C(OCC=C)=O)=O)CCCCCCCCCCCCC |