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3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-bromo)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID AMt7F8mjDMk
InChI InChI=1S/C28H27BrN2O2/c1-17-8-10-18(11-9-17)33-19-12-13-22-23(14-19)31-27(20-6-4-5-7-21(20)29)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey RUFDYBNQURITPY-UHFFFAOYSA-N
Mol Weight 503.44 g/mol
Molecular Formula C28H27BrN2O2
Exact Mass 502.125591 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1QjzUOY6T8
Name 3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-bromo)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C28H27BrN2O2
InChI InChI=1S/C28H27BrN2O2/c1-17-8-10-18(11-9-17)33-19-12-13-22-23(14-19)31-27(20-6-4-5-7-21(20)29)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey RUFDYBNQURITPY-UHFFFAOYSA-N
Molecular Weight 503.440 g/mol
SMILES N1c2cc(ccc2NC2=C(C1c1c(Br)cccc1)C(CC(C)(C)C2)=O)Oc1ccc(cc1)C
SPLASH splash10-0f6t-0009860000-0cdc07c6c40dbaa73dd3
Source of Spectrum Y-46-1118-11
Wiley ID 1666975