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3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(p-methyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 51rKXVy3yWI
InChI InChI=1S/C29H30N2O2/c1-18-5-9-20(10-6-18)28-27-25(16-29(3,4)17-26(27)32)30-23-14-13-22(15-24(23)31-28)33-21-11-7-19(2)8-12-21/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey YRMCXOHHCCULSX-UHFFFAOYSA-N
Mol Weight 438.57 g/mol
Molecular Formula C29H30N2O2
Exact Mass 438.230728 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F41NOq1PcwP
Name 3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(p-methyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C29H30N2O2
InChI InChI=1S/C29H30N2O2/c1-18-5-9-20(10-6-18)28-27-25(16-29(3,4)17-26(27)32)30-23-14-13-22(15-24(23)31-28)33-21-11-7-19(2)8-12-21/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey YRMCXOHHCCULSX-UHFFFAOYSA-N
Molecular Weight 438.571 g/mol
SMILES N1c2ccc(cc2NC(C2=C1CC(CC2=O)(C)C)c1ccc(cc1)C)Oc1ccc(cc1)C
SPLASH splash10-000b-0009500000-ba3cf551b668388e184a
Source of Spectrum Y-46-1117-8
Synonyms 9,9-Dimethyl-3-(4-methylphenoxy)-6-(4-methylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Wiley ID 1666978