SpectraBase Spectrum ID |
5TdecMZha9r |
Name |
Fumaric acid, isopropyl tetradecyl ester |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
354.277009700 u |
Formula |
C21H38O4 |
InChI |
InChI=1S/C21H38O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(22)16-17-21(23)25-19(2)3/h16-17,19H,4-15,18H2,1-3H3/b17-16+ |
InChIKey |
YDLCGSIYIUEGLF-WUKNDPDISA-N |
Molecular Weight |
354.531 g/mol |
SMILES |
C(CCCCCOC(\C=C\C(OC(C)C)=O)=O)CCCCCCCC |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94817 |