SpectraBase Spectrum ID |
qSLS5ZoWvX |
Name |
Benzene, 1,1'-(2-butene-1,4-diyl)bis- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
208.125200515 u |
Formula |
C16H16 |
InChI |
InChI=1S/C16H16/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-12H,13-14H2/b8-7+ |
InChIKey |
CTYOBVWQEXIGRQ-BQYQJAHWSA-N |
Molecular Weight |
208.304 g/mol |
SMILES |
C1=CC(C\C=C\CC2=CC=CC=C2)=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969323 |