| SpectraBase Spectrum ID |
GP0S8geWFdU |
| Name |
4,6,8,10,12,14,16,18,20-Heneicosanonaen-3-one, 5-hydroxy-2,2,6,10,15,19-hexamethyl-21-(2,6,6-trimethyl-1-cyclohexen-1-yl)-, (Z,E,E,E,E,E,E,E,E)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.381080848 u |
| Formula |
C36H50O2 |
| InChI |
InChI=1S/C36H50O2/c1-27(18-13-19-29(3)23-24-32-30(4)22-15-25-36(32,9)10)16-11-12-17-28(2)20-14-21-31(5)33(37)26-34(38)35(6,7)8/h11-14,16-21,23-24,26,37H,15,22,25H2,1-10H3/b12-11+,18-13+,20-14+,24-23+,27-16+,28-17+,29-19+,31-21+,33-26- |
| InChIKey |
XJEHKOCYCODLJH-HKCQJVEYSA-N |
| Molecular Weight |
514.794 g/mol |
| SMILES |
C1(\C=C\C(=C\C=C\C(=C\C=C\C=C\(\C=C\C=C\(\C(=C\C(C(C)(C)C)=O)O)C)C)C)C)=C(CCCC1(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85514 |
