| SpectraBase Spectrum ID |
4OFn4cayC8L |
| Name |
Fumaric acid, cyclopentylmethyl undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
352.261359635 u |
| Formula |
C21H36O4 |
| InChI |
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-12-17-24-20(22)15-16-21(23)25-18-19-13-10-11-14-19/h15-16,19H,2-14,17-18H2,1H3/b16-15+ |
| InChIKey |
JURZNEIBTUUKIN-FOCLMDBBSA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(\C=C\C(OCC1CCCC1)=O)(OCCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968017 |
