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(2E,5E)-2-(4-Chlorobenzylidene)-5-(4-methoxybenzylidene)cyclopentanone
SpectraBase Compound ID 2kTAr1ArE4q
InChI InChI=1S/C20H17ClO2/c1-23-19-10-4-15(5-11-19)13-17-7-6-16(20(17)22)12-14-2-8-18(21)9-3-14/h2-5,8-13H,6-7H2,1H3/b16-12+,17-13+
InChIKey SCVPVVMRBNWPHT-UNZYHPAISA-N
Mol Weight 324.81 g/mol
Molecular Formula C20H17ClO2
Exact Mass 324.091707 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HdpDsDwaCHo
Name (2E,5E)-2-(4-Chlorobenzylidene)-5-(4-methoxybenzylidene)cyclopentanone
Comments Computed using HOSE algorithm
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Exact Mass 324.091707485 u
Formula C20H17ClO2
InChI InChI=1S/C20H17ClO2/c1-23-19-10-4-15(5-11-19)13-17-7-6-16(20(17)22)12-14-2-8-18(21)9-3-14/h2-5,8-13H,6-7H2,1H3/b16-12+,17-13+
InChIKey SCVPVVMRBNWPHT-UNZYHPAISA-N
Molecular Weight 324.807 g/mol
SMILES C1(\C(=C\C2=CC=C(C=C2)OC)CC\C1=C\C1=CC=C(C=C1)Cl)=O