| SpectraBase Spectrum ID |
272tLBQk2E1 |
| Name |
Fumaric acid, 2-methoxyethyl pentadcyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
384.287574383 u |
| Formula |
C22H40O5 |
| InChI |
InChI=1S/C22H40O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-26-21(23)16-17-22(24)27-20-19-25-2/h16-17H,3-15,18-20H2,1-2H3/b17-16+ |
| InChIKey |
JQIKANJKGQBECV-WUKNDPDISA-N |
| Molecular Weight |
384.557 g/mol |
| SMILES |
C(CCCCCOC(\C=C\C(OCCOC)=O)=O)CCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.916166 |
