SpectraBase Spectrum ID |
BYF9OyGAmGm |
Name |
(3E,5Z)-1-Phenyl-3,5-octadiene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
186.140850580 u |
Formula |
C14H18 |
InChI |
InChI=1S/C14H18/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h3-7,9-10,12-13H,2,8,11H2,1H3/b4-3-,6-5+ |
InChIKey |
HHPZJJQLNJWVAA-DNVGVPOPSA-N |
Molecular Weight |
186.298 g/mol |
SMILES |
C(\C=C/C=C/CCC=1C=CC=CC1)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97251 |