| SpectraBase Spectrum ID |
JAlu0xMnalw |
| Name |
Fumaric acid, cyclohexyl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
408.323959893 u |
| Formula |
C25H44O4 |
| InChI |
InChI=1S/C25H44O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-22-28-24(26)20-21-25(27)29-23-18-15-14-16-19-23/h20-21,23H,2-19,22H2,1H3/b21-20+ |
| InChIKey |
ZVWYDPSLGWHVTD-QZQOTICOSA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933943 |
