| SpectraBase Spectrum ID |
4BZHpE9h22O |
| Name |
Fumaric acid, 4-octyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
382.308309828 u |
| Formula |
C23H42O4 |
| InChI |
InChI=1S/C23H42O4/c1-4-7-9-10-11-12-13-14-15-20-26-22(24)18-19-23(25)27-21(16-6-3)17-8-5-2/h18-19,21H,4-17,20H2,1-3H3/b19-18+ |
| InChIKey |
MUDZCJSGMPDWTM-VHEBQXMUSA-N |
| Molecular Weight |
382.585 g/mol |
| SMILES |
C(CCOC(\C=C\C(OC(CCCC)CCC)=O)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.975041 |
