| SpectraBase Spectrum ID |
1jl4pbqZLhc |
| Name |
Fumaric acid, isohexyl tetradec-3-enyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
394.308309828 u |
| Formula |
C24H42O4 |
| InChI |
InChI=1S/C24H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-20-27-23(25)18-19-24(26)28-21-16-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3/b14-13+,19-18+ |
| InChIKey |
ROQXFWBMOPKROI-CDSOMVEVSA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(\C=C\C(OCCCC(C)C)=O)(OCC\C=C\CCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.827638 |
