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11-(2,5-Difluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 3ixiNtD9613
InChI InChI=1S/C25H20F2N2O/c26-17-10-11-19(27)18(14-17)25-24-22(28-20-8-4-5-9-21(20)29-25)12-16(13-23(24)30)15-6-2-1-3-7-15/h1-11,14,16,25,28-29H,12-13H2
InChIKey XXZYQBNZJPDXAW-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C25H20F2N2O
Exact Mass 402.15437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LJVgvucaOxM
Name 11-(2,5-Difluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 6-(2,5-difluorophenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-[2,5-bis(fluoranyl)phenyl]-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C25H20F2N2O
InChI InChI=1S/C25H20F2N2O/c26-17-10-11-19(27)18(14-17)25-24-22(28-20-8-4-5-9-21(20)29-25)12-16(13-23(24)30)15-6-2-1-3-7-15/h1-11,14,16,25,28-29H,12-13H2
InChIKey XXZYQBNZJPDXAW-UHFFFAOYSA-N
Molecular Weight 402.445 g/mol
SMILES N1c2ccccc2NC2=C(C1c1c(ccc(c1)F)F)C(CC(c1ccccc1)C2)=O
SPLASH splash10-000i-4890000000-5ae6e45f5546f4600114
Wiley ID 1455286