| SpectraBase Spectrum ID |
F7DnJgdAR5e |
| Name |
(Z)-1-{3-[(Z)-2-Phenylethenyl]-1-cyclohexene-1-yl]-1-octen-3-yne |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
290.203450837 u |
| Formula |
C22H26 |
| InChI |
InChI=1S/C22H26/c1-2-3-4-5-6-8-14-21-15-11-16-22(19-21)18-17-20-12-9-7-10-13-20/h7-10,12-14,17-19,22H,2-4,11,15-16H2,1H3/b14-8-,18-17- |
| InChIKey |
LVPPQKZHQTWMNW-AVTAEFAWSA-N |
| SMILES |
C(#CCCCC)\C=C/C1=CC(\C=C/C=2C=CC=CC2)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.81165 |
![(Z)-1-{3-[(Z)-2-Phenylethenyl]-1-cyclohexene-1-yl]-1-octen-3-yne](/api/spectrum/F7DnJgdAR5e/structure.png?h=300&w=458 "(Z)-1-{3-[(Z)-2-Phenylethenyl]-1-cyclohexene-1-yl]-1-octen-3-yne")
