SpectraBase Spectrum ID |
FqjDBKUhkjd |
Name |
(2Z)-N-[(2E)-2,7-Dimethyl-2,7-octadienyl]-2,7-dimethyl-2,7-octadien-1-amine |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
289.276950131 u |
Formula |
C20H35N |
InChI |
InChI=1S/C20H35N/c1-17(2)11-7-9-13-19(5)15-21-16-20(6)14-10-8-12-18(3)4/h13-14,21H,1,3,7-12,15-16H2,2,4-6H3/b19-13+,20-14+ |
InChIKey |
WKELEIBJQFLAAR-IWGRKNQJSA-N |
SMILES |
CC(=C)CCC\C=C/(C)CNC\C(C)=C\CCCC(C)=C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.845498 |