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11-(5-Bromo-2-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID G9Pi0S06FPF
InChI InChI=1S/C27H24BrFN2O3/c1-33-24-10-7-15(13-25(24)34-2)16-11-22-26(23(32)12-16)27(18-14-17(28)8-9-19(18)29)31-21-6-4-3-5-20(21)30-22/h3-10,13-14,16,27,30-31H,11-12H2,1-2H3
InChIKey JWVOWUVGLKVKNB-UHFFFAOYSA-N
Mol Weight 523.4 g/mol
Molecular Formula C27H24BrFN2O3
Exact Mass 522.095434 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EwXWNQOaI06
Name 11-(5-Bromo-2-fluorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 6-(5-bromanyl-2-fluoranyl-phenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(5-bromo-2-fluoro-phenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C27H24BrFN2O3
InChI InChI=1S/C27H24BrFN2O3/c1-33-24-10-7-15(13-25(24)34-2)16-11-22-26(23(32)12-16)27(18-14-17(28)8-9-19(18)29)31-21-6-4-3-5-20(21)30-22/h3-10,13-14,16,27,30-31H,11-12H2,1-2H3
InChIKey JWVOWUVGLKVKNB-UHFFFAOYSA-N
Molecular Weight 523.402 g/mol
SMILES N1c2ccccc2NC2=C(C1c1c(ccc(c1)Br)F)C(CC(c1cc(OC)c(cc1)OC)C2)=O
SPLASH splash10-0002-4945000000-a52a1883498d9429dead
Wiley ID 1454996