| SpectraBase Spectrum ID |
Ir7xCo2UzUF |
| Name |
Irisoquin;2-hydroxy-3-octadecyl-5-methoxy-1,4-benzoquinone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.308309828 u |
| Formula |
C25H42O4 |
| InChI |
InChI=1S/C25H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)22(26)20-23(29-2)25(21)28/h20,27H,3-19H2,1-2H3 |
| InChIKey |
VOJSRSKBOJBZEK-UHFFFAOYSA-N |
| Molecular Weight |
406.607 g/mol |
| SMILES |
C1(=O)C(O)=C(C(=O)C(=C1)OC)CCCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.860262 |
