| SpectraBase Spectrum ID |
2nMmLtZu4H5 |
| Name |
Fumaric acid, octadecyl propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| 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 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964861 |
