| SpectraBase Spectrum ID |
KBvE4piWzr4 |
| Name |
Fumaric acid, decyl 2-ethylcyclohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
366.277009700 u |
| Formula |
C22H38O4 |
| InChI |
InChI=1S/C22H38O4/c1-3-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-20-15-12-11-14-19(20)4-2/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+ |
| InChIKey |
QUVQNXBXUHTMFX-WUKNDPDISA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
CCC1C(CCCC1)OC(\C=C\C(OCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.909228 |
