| SpectraBase Spectrum ID |
FEbt7ARE2zt |
| Name |
Fumaric acid, dodecyl 2-ethylbutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
368.292659764 u |
| Formula |
C22H40O4 |
| InChI |
InChI=1S/C22H40O4/c1-4-7-8-9-10-11-12-13-14-15-18-25-21(23)16-17-22(24)26-19-20(5-2)6-3/h16-17,20H,4-15,18-19H2,1-3H3/b17-16+ |
| InChIKey |
RMHLZMQZSMMLPT-WUKNDPDISA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
CCC(CC)COC(\C=C\C(OCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972 |
