| SpectraBase Spectrum ID |
HLQwTRjRVKZ |
| Name |
Fumaric acid, allyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-28-24(26)20-19-23(25)27-21-4-2/h4,19-20H,2-3,5-18,21-22H2,1H3/b20-19+ |
| InChIKey |
WWCWFFJFDMNKHE-FMQUCBEESA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(CCCCCCCCOC(\C=C\C(OCC=C)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94326 |
