| SpectraBase Spectrum ID |
K9OBFRZRx03 |
| Name |
Fumaric acid, 6-ethyloct-3-yl pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
466.402210215 u |
| Formula |
C29H54O4 |
| InChI |
InChI=1S/C29H54O4/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-25-32-28(30)23-24-29(31)33-27(8-4)22-21-26(6-2)7-3/h23-24,26-27H,5-22,25H2,1-4H3/b24-23+ |
| InChIKey |
LLFWIOSHOFXKMO-WCWDXBQESA-N |
| Molecular Weight |
466.747 g/mol |
| SMILES |
C(CCOC(\C=C\C(OC(CCC(CC)CC)CC)=O)=O)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954259 |
