| SpectraBase Spectrum ID |
Cs5r92zYjdP |
| Name |
Fumaric acid, 2-ethylcyclohexyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
380.292659764 u |
| Formula |
C23H40O4 |
| InChI |
InChI=1S/C23H40O4/c1-3-5-6-7-8-9-10-11-14-19-26-22(24)17-18-23(25)27-21-16-13-12-15-20(21)4-2/h17-18,20-21H,3-16,19H2,1-2H3/b18-17+ |
| InChIKey |
KJFITGPFRKLNHV-ISLYRVAYSA-N |
| Molecular Weight |
380.569 g/mol |
| SMILES |
C(C1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.912398 |
