| SpectraBase Spectrum ID |
AWmx6L6wqfq |
| Name |
Fumaric acid, 1-cyclopentylethyl tetradecyl 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/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-28-24(26)19-20-25(27)29-22(2)23-17-14-15-18-23/h19-20,22-23H,3-18,21H2,1-2H3/b20-19+ |
| InChIKey |
JARJDQDGFIVLRP-FMQUCBEESA-N |
| Molecular Weight |
408.623 g/mol |
| SMILES |
CC(OC(\C=C\C(OCCCCCCCCCCCCCC)=O)=O)C1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.810857 |
