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11-(3-Bromo-4,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID IgvAR1hzuEa
InChI InChI=1S/C27H25BrN2O3/c1-32-24-15-18(12-19(28)27(24)33-2)26-25-22(29-20-10-6-7-11-21(20)30-26)13-17(14-23(25)31)16-8-4-3-5-9-16/h3-12,15,17,26,29-30H,13-14H2,1-2H3
InChIKey FSFGCZHCPLVEAS-UHFFFAOYSA-N
Mol Weight 505.41 g/mol
Molecular Formula C27H25BrN2O3
Exact Mass 504.104856 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DhA97LFQcSz
Name 11-(3-Bromo-4,5-dimethoxyphenyl)-3-phenyl-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25BrN2O3
InChI InChI=1S/C27H25BrN2O3/c1-32-24-15-18(12-19(28)27(24)33-2)26-25-22(29-20-10-6-7-11-21(20)30-26)13-17(14-23(25)31)16-8-4-3-5-9-16/h3-12,15,17,26,29-30H,13-14H2,1-2H3
InChIKey FSFGCZHCPLVEAS-UHFFFAOYSA-N
Molecular Weight 505.412 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1ccccc1)c1cc(Br)c(c(c1)OC)OC
SPLASH splash10-000i-4890000000-9fb158bb8f789a2b44a1
Synonyms 6-(3-bromanyl-4,5-dimethoxy-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-(3-bromo-4,5-dimethoxy-phenyl)-9-phenyl-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1454980