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3-Fluoranyl-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile
SpectraBase Compound ID HZyq3lIQISm
InChI InChI=1S/C18H15F2N3O/c19-15-3-1-2-14(11-15)18(24)23-8-6-22(7-9-23)17-5-4-13(12-21)10-16(17)20/h1-5,10-11H,6-9H2
InChIKey VDMRAPDNJHEWCU-UHFFFAOYSA-N
Mol Weight 327.33 g/mol
Molecular Formula C18H15F2N3O
Exact Mass 327.118318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9rhGU1AGV5T
Name 3-Fluoranyl-4-[4-(3-fluorophenyl)carbonylpiperazin-1-yl]benzenecarbonitrile
Alternate Name(s) 3-Fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]benzonitrile 3-Fluoro-4-[4-(3-fluorobenzoyl)piperazino]benzonitrile 3-Fluoro-4-[4-[(3-fluorophenyl)-oxomethyl]-1-piperazinyl]benzonitrile Benzonitrile, 3-fluoro-4-[4-(3-fluorobenzoyl)piperazin-1-yl]-
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Formula C18H15F2N3O
InChI InChI=1S/C18H15F2N3O/c19-15-3-1-2-14(11-15)18(24)23-8-6-22(7-9-23)17-5-4-13(12-21)10-16(17)20/h1-5,10-11H,6-9H2
InChIKey VDMRAPDNJHEWCU-UHFFFAOYSA-N
Molecular Weight 327.335 g/mol
SMILES C(N1CCN(CC1)c1c(cc(C#N)cc1)F)(c1cc(F)ccc1)=O
SPLASH splash10-004j-5900000000-1371d7ab964e02272322
Wiley ID 1436701