SpectraBase Spectrum ID |
Fg8IOSmAEnA |
Name |
1,4-bis[(E)-4-Chlorostyryl]-2,3,5,6-tetrafluorobenzene |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
422.025218438 u |
Formula |
C22H12Cl2F4 |
InChI |
InChI=1S/C22H12Cl2F4/c23-15-7-1-13(2-8-15)5-11-17-19(25)21(27)18(22(28)20(17)26)12-6-14-3-9-16(24)10-4-14/h1-12H/b11-5+,12-6+ |
InChIKey |
GLAXWTCTYQSAQE-YDWXAUTNSA-N |
Molecular Weight |
423.238 g/mol |
SMILES |
C1(=C(C(=C(\C=C\C=2C=CC(Cl)=CC2)C(=C1F)F)F)F)\C=C\C=1C=CC(=CC1)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.913388 |