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11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one

View entire compound with spectra: 1 MS (GC)

11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID IRvfVFR41OD
InChI InChI=1S/C25H20BrFN2O/c26-18-12-16(10-11-19(18)27)25-24-22(28-20-8-4-5-9-21(20)29-25)13-17(14-23(24)30)15-6-2-1-3-7-15/h1-12,17,25,28-29H,13-14H2
InChIKey INSVBKASFRTAHE-UHFFFAOYSA-N
Mol Weight 463.35 g/mol
Molecular Formula C25H20BrFN2O
Exact Mass 462.074304 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9GFCKMfxYOP
Name 11-(3-Bromo-4-fluorophenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 6-(3-bromanyl-4-fluoranyl-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-bromo-4-fluoro-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C25H20BrFN2O
InChI InChI=1S/C25H20BrFN2O/c26-18-12-16(10-11-19(18)27)25-24-22(28-20-8-4-5-9-21(20)29-25)13-17(14-23(24)30)15-6-2-1-3-7-15/h1-12,17,25,28-29H,13-14H2
InChIKey INSVBKASFRTAHE-UHFFFAOYSA-N
Molecular Weight 463.350 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1cc(Br)c(cc1)F
SPLASH splash10-000i-4791100000-06b20ec46442b8a67d12
Wiley ID 1454981