| SpectraBase Spectrum ID |
AoxzDrzZk2x |
| Name |
Fumaric acid, heptadecyl 2-methoxyethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.318874512 u |
| Formula |
C24H44O5 |
| InChI |
InChI=1S/C24H44O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-23(25)18-19-24(26)29-22-21-27-2/h18-19H,3-17,20-22H2,1-2H3/b19-18+ |
| InChIKey |
NHUMJRSOXBINCJ-VHEBQXMUSA-N |
| Molecular Weight |
412.611 g/mol |
| SMILES |
C(CCCOC(\C=C\C(OCCOC)=O)=O)CCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946298 |
