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1,2-Benzenedicarbonitrile, 4-[[3-(2-fluorophenyl)-2-phenylpropyl]amino]-5-nitro-
SpectraBase Compound ID 5B1D9SQ64Ka
InChI InChI=1S/C23H17FN4O2/c24-21-9-5-4-8-17(21)10-20(16-6-2-1-3-7-16)15-27-22-11-18(13-25)19(14-26)12-23(22)28(29)30/h1-9,11-12,20,27H,10,15H2
InChIKey GHZPOWUPAQYMHT-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C23H17FN4O2
Exact Mass 400.133554 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BxDq0AVf6r6
Name 1,2-Benzenedicarbonitrile, 4-[[3-(2-fluorophenyl)-2-phenylpropyl]amino]-5-nitro-
Alternate Name(s) 4-[[3-(2-fluorophenyl)-2-phenylpropyl]amino]-5-nitrobenzene-1,2-dicarbonitrile 4-[[3-(2-fluorophenyl)-2-phenyl-propyl]amino]-5-nitro-benzene-1,2-dicarbonitrile
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Formula C23H17FN4O2
InChI InChI=1S/C23H17FN4O2/c24-21-9-5-4-8-17(21)10-20(16-6-2-1-3-7-16)15-27-22-11-18(13-25)19(14-26)12-23(22)28(29)30/h1-9,11-12,20,27H,10,15H2
InChIKey GHZPOWUPAQYMHT-UHFFFAOYSA-N
Molecular Weight 400.413 g/mol
SMILES N(CC(Cc1ccccc1F)c1ccccc1)c1cc(C#N)c(C#N)cc1N(=O)=O
SPLASH splash10-0002-1910000000-663a92b2b85c6569d258
Source of Spectrum IY-1-4467-3
Wiley ID 1652656