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1,4-Bis[(E)-4-chlorostyryl]-2,3,5,6-tetrafluorobenzene
SpectraBase Compound ID Mrcn6fQy8T
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
Mol Weight 423.24 g/mol
Molecular Formula C22H12Cl2F4
Exact Mass 422.025218 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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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