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(3E,5E)-5-benzal-9-butyl-3-(4-chlorobenzylidene)-2,6,7,8-tetrahydro-1H-acridin-4-one
SpectraBase Compound ID 1vYNJQ6OBvM
InChI InChI=1S/C31H30ClNO/c1-2-3-11-26-27-12-7-10-23(19-21-8-5-4-6-9-21)29(27)33-30-28(26)18-15-24(31(30)34)20-22-13-16-25(32)17-14-22/h4-6,8-9,13-14,16-17,19-20H,2-3,7,10-12,15,18H2,1H3/b23-19+,24-20+
InChIKey QVCSQJQLVUFSJP-BLVCXSLXSA-N
Mol Weight 468.04 g/mol
Molecular Formula C31H30ClNO
Exact Mass 467.201592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AvIa5z4kBIf
Name (3E,5E)-5-benzal-9-butyl-3-(4-chlorobenzylidene)-2,6,7,8-tetrahydro-1H-acridin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C31H30ClNO
InChI InChI=1S/C31H30ClNO/c1-2-3-11-26-27-12-7-10-23(19-21-8-5-4-6-9-21)29(27)33-30-28(26)18-15-24(31(30)34)20-22-13-16-25(32)17-14-22/h4-6,8-9,13-14,16-17,19-20H,2-3,7,10-12,15,18H2,1H3/b23-19+,24-20+
InChIKey QVCSQJQLVUFSJP-BLVCXSLXSA-N
Molecular Weight 468.040 g/mol
SMILES c12nc3\C(=C\c4ccccc4)CCCc3c(c1CC\C(C2=O)=C/c1ccc(cc1)Cl)CCCC
SPLASH splash10-004i-9000100000-7af41f979d12536800b0
Source of Spectrum D1-1996-81-5
Synonyms (3E,5E)-5-benzylidene-9-butyl-3-[(4-chlorophenyl)methylene]-2,6,7,8-tetrahydro-1H-acridin-4-one (3E,5E)-5-benzylidene-9-butyl-3-[(4-chlorophenyl)methylidene]-2,6,7,8-tetrahydro-1H-acridin-4-one (3E,5E)-9-butyl-3-[(4-chlorophenyl)methylidene]-5-(phenylmethylene)-2,6,7,8-tetrahydro-1H-acridin-4-one (3E,5E)-9-butyl-3-[(4-chlorophenyl)methylidene]-5-(phenylmethylidene)-2,6,7,8-tetrahydro-1H-acridin-4-one
Wiley ID 834807