SpectraBase Spectrum ID |
DKrzqoVuGRU |
Name |
Benzene, [2-[1,1'-biphenyl]-4-ylethenyl]- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
256.125200515 u |
Formula |
C20H16 |
InChI |
InChI=1S/C20H16/c1-3-7-17(8-4-1)11-12-18-13-15-20(16-14-18)19-9-5-2-6-10-19/h1-16H/b12-11+ |
InChIKey |
RTCXQMFXAWOHKN-VAWYXSNFSA-N |
Molecular Weight |
256.348 g/mol |
SMILES |
C1(\C=C\C2=CC=CC=C2)=CC=C(C=C1)C1=CC=CC=C1 |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.874874 |