| SpectraBase Spectrum ID |
E6llRAJKxgn |
| Name |
Fumaric acid, isopropyl pentadecyl 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/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-21(23)17-18-22(24)26-20(2)3/h17-18,20H,4-16,19H2,1-3H3/b18-17+ |
| InChIKey |
MPXOQKVHAQPTQP-ISLYRVAYSA-N |
| Molecular Weight |
368.558 g/mol |
| SMILES |
C(CCCCCCOC(\C=C\C(=O)OC(C)C)=O)CCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.950816 |
