| SpectraBase Spectrum ID |
Ej9OeqNa9GX |
| Name |
Fumaric acid, cyclobutyl hexadecyl 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/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-27-23(25)19-20-24(26)28-22-17-16-18-22/h19-20,22H,2-18,21H2,1H3/b20-19+ |
| InChIKey |
YPBBRLKEZCTUMD-FMQUCBEESA-N |
| Molecular Weight |
394.596 g/mol |
| SMILES |
C(OC1CCC1)(\C=C\C(OCCCCCCCCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924617 |
