| SpectraBase Spectrum ID |
6KMslXNLWb4 |
| Name |
Fumaric acid, ethyl heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-27-23(25)20-19-22(24)26-4-2/h19-20H,3-18,21H2,1-2H3/b20-19+ |
| InChIKey |
OFCNOXMJTZVAMO-FMQUCBEESA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
CCOC(\C=C\C(OCCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94246 |
