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3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(p-bromo)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 6njCC4pq886
InChI InChI=1S/C28H27BrN2O2/c1-17-6-4-5-7-25(17)33-20-12-13-21-22(14-20)31-27(18-8-10-19(29)11-9-18)26-23(30-21)15-28(2,3)16-24(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey CQIGJZRDJJOTIE-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 7vafUwg7cFZ
Name 3,3-Dimethyl-8-[(o-methyl)phenoxy]-11-[(p-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/c1-17-6-4-5-7-25(17)33-20-12-13-21-22(14-20)31-27(18-8-10-19(29)11-9-18)26-23(30-21)15-28(2,3)16-24(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey CQIGJZRDJJOTIE-UHFFFAOYSA-N
Molecular Weight 503.440 g/mol
SMILES N1c2ccc(cc2NC(C2=C1CC(CC2=O)(C)C)c1ccc(cc1)Br)Oc1c(C)cccc1
SPLASH splash10-0f6t-0009270000-0e7cb295af958cb368ae
Source of Spectrum Y-46-1117-6
Wiley ID 1666980