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4,4'-Bis[(E)-4-chlorostyryl]biphenyl

View entire compound with spectra: 1 NMR, and 2 MS (GC)

4,4'-Bis[(E)-4-chlorostyryl]biphenyl
SpectraBase Compound ID wSlzEVnAXQ
InChI InChI=1S/C28H20Cl2/c29-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(30)20-12-24/h1-20H/b3-1+,4-2+
InChIKey LOVMSRDFGBGTFW-ZPUQHVIOSA-N
Mol Weight 427.37 g/mol
Molecular Formula C28H20Cl2
Exact Mass 426.094206 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9YVz7SFyYn9
Name 4,4'-bis[(E)-4-Chlorostyryl]biphenyl
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 426.094206044 u
Formula C28H20Cl2
InChI InChI=1S/C28H20Cl2/c29-27-17-9-23(10-18-27)3-1-21-5-13-25(14-6-21)26-15-7-22(8-16-26)2-4-24-11-19-28(30)20-12-24/h1-20H/b3-1+,4-2+
InChIKey LOVMSRDFGBGTFW-ZPUQHVIOSA-N
Molecular Weight 427.374 g/mol
SMILES C=1(\C=C\C=2C=CC(C3=CC=C(\C=C\C=4C=CC(=CC4)Cl)C=C3)=CC2)C=CC(=CC1)Cl