| SpectraBase Spectrum ID |
GqiNrXdD3H8 |
| Name |
Fumaric acid, dodecyl pent-4-enyl 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/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-6-4-2/h4,16-17H,2-3,5-15,18-19H2,1H3/b17-16+ |
| InChIKey |
MLZPSIQYOJICQP-WUKNDPDISA-N |
| Molecular Weight |
352.515 g/mol |
| SMILES |
C(\C=C\C(OCCCCCCCCCCCC)=O)(OCCCC=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971227 |
