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2-(4-Chlorophenyl)-3-(4-fluorobenzylidene)-3H-1,4-benzodiazepine
SpectraBase Compound ID FGmUxiQ2U6L
InChI InChI=1S/C22H14ClFN2/c23-18-9-7-16(8-10-18)22-21(13-15-5-11-19(24)12-6-15)25-14-17-3-1-2-4-20(17)26-22/h1-14H/b21-13-
InChIKey IOBJZQQDAAAWLX-BKUYFWCQSA-N
Mol Weight 360.82 g/mol
Molecular Formula C22H14ClFN2
Exact Mass 360.082954 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5nYGOZaI2MI
Name 2-(4-Chlorophenyl)-3-(4-fluorobenzylidene)-3H-1,4-benzodiazepine
Alternate Name(s) (3Z)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylene]-1,4-benzodiazepine (3Z)-2-(4-chlorophenyl)-3-[(4-fluorophenyl)methylidene]-1,4-benzodiazepine
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Formula C22H14ClFN2
InChI InChI=1S/C22H14ClFN2/c23-18-9-7-16(8-10-18)22-21(13-15-5-11-19(24)12-6-15)25-14-17-3-1-2-4-20(17)26-22/h1-14H/b21-13-
InChIKey IOBJZQQDAAAWLX-BKUYFWCQSA-N
Molecular Weight 360.819 g/mol
SMILES C1(=Nc2c(C=N\C1=C\c1ccc(cc1)F)cccc2)c1ccc(cc1)Cl
SPLASH splash10-03di-0529000000-461b07ead93895a54849
Source of Spectrum U1-2011-6937-14g
Wiley ID 1702883