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3,3-Dimethyl-8-[(p-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 B5y3ySzDUAy
InChI InChI=1S/C28H27BrN2O2/c1-17-4-10-20(11-5-17)33-21-12-13-22-23(14-21)31-27(18-6-8-19(29)9-7-18)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey QBYJOILCRHBTHW-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 5ZmU6P1glty
Name 3,3-Dimethyl-8-[(p-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/c1-17-4-10-20(11-5-17)33-21-12-13-22-23(14-21)31-27(18-6-8-19(29)9-7-18)26-24(30-22)15-28(2,3)16-25(26)32/h4-14,27,30-31H,15-16H2,1-3H3
InChIKey QBYJOILCRHBTHW-UHFFFAOYSA-N
Molecular Weight 503.440 g/mol
SMILES N1c2ccc(cc2NC(C2=C1CC(CC2=O)(C)C)c1ccc(cc1)Br)Oc1ccc(cc1)C
SPLASH splash10-0002-0009150000-b22bda704eeadffd0334
Source of Spectrum Y-46-1118-12
Wiley ID 1666974