SpectraBase Spectrum ID |
KQArBul4aka |
Name |
Benzene, 1,3-dichloro-2-[2-(2-ethenylphenyl)ethenyl]-, (E)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
274.031605786 u |
Formula |
C16H12Cl2 |
InChI |
InChI=1S/C16H12Cl2/c1-2-12-6-3-4-7-13(12)10-11-14-15(17)8-5-9-16(14)18/h2-11H,1H2/b11-10+ |
InChIKey |
RZCILLFLSUPCSC-ZHACJKMWSA-N |
SMILES |
C=1(\C=C\C=2C(C=C)=CC=CC2)C(Cl)=CC=CC1Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921384 |