| SpectraBase Spectrum ID |
FaRI2v7FR72 |
| Name |
Fumaric acid, 2-methylcyclohexyl undecyl 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/c1-3-4-5-6-7-8-9-10-13-18-25-21(23)16-17-22(24)26-20-15-12-11-14-19(20)2/h16-17,19-20H,3-15,18H2,1-2H3/b17-16+ |
| InChIKey |
XVTIHYDNDXFRRL-WUKNDPDISA-N |
| Molecular Weight |
366.542 g/mol |
| SMILES |
CC1C(CCCC1)OC(\C=C\C(OCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933173 |
