| SpectraBase Spectrum ID |
AHTNZeed3f9 |
| Name |
Fumaric acid, isopropyl octadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
410.339609957 u |
| Formula |
C25H46O4 |
| InChI |
InChI=1S/C25H46O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-28-24(26)20-21-25(27)29-23(2)3/h20-21,23H,4-19,22H2,1-3H3/b21-20+ |
| InChIKey |
HGNFCUBPLHFJBS-QZQOTICOSA-N |
| Molecular Weight |
410.639 g/mol |
| SMILES |
C(CCCCCCOC(\C=C\C(OC(C)C)=O)=O)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.942077 |
