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(E,Z)-1-(1,1'-Biphenyl-2-yl)-1-(4-chlorophenyl)-1,3-butadiene
SpectraBase Compound ID ChzS9gP1Mb2
InChI InChI=1S/C22H17Cl/c1-2-6-22(20-13-15-21(23)16-14-20)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h2-16H,1H2/b22-6+
InChIKey WHYDKZBIOHWKTQ-GEVRCRHISA-N
Mol Weight 316.83 g/mol
Molecular Formula C22H17Cl
Exact Mass 316.101878 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GEfS3KMj1nV
Name (E,Z)-1-(1,1'-Biphenyl-2-yl)-1-(4-chlorophenyl)-1,3-butadiene
Comments Computed using HOSE algorithm
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Exact Mass 316.101878247 u
Formula C22H17Cl
InChI InChI=1S/C22H17Cl/c1-2-6-22(20-13-15-21(23)16-14-20)19-11-9-18(10-12-19)17-7-4-3-5-8-17/h2-16H,1H2/b22-6+
InChIKey WHYDKZBIOHWKTQ-GEVRCRHISA-N
Molecular Weight 316.831 g/mol
SMILES C1(\C(C2=CC=C(C3=CC=CC=C3)C=C2)=C\C=C)=CC=C(Cl)C=C1