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3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-methyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 9hI2D5gImh0
InChI InChI=1S/C29H30N2O2/c1-18-9-11-20(12-10-18)33-21-13-14-23-24(15-21)31-28(22-8-6-5-7-19(22)2)27-25(30-23)16-29(3,4)17-26(27)32/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey HXGOTVNBXRXCME-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 1mxp2Pb1inP
Name 3,3-Dimethyl-8-[(p-methyl)phenoxy]-11-[(o-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/c1-18-9-11-20(12-10-18)33-21-13-14-23-24(15-21)31-28(22-8-6-5-7-19(22)2)27-25(30-23)16-29(3,4)17-26(27)32/h5-15,28,30-31H,16-17H2,1-4H3
InChIKey HXGOTVNBXRXCME-UHFFFAOYSA-N
Molecular Weight 438.571 g/mol
SMILES N1c2ccc(cc2NC(C2=C1CC(CC2=O)(C)C)c1c(C)cccc1)Oc1ccc(cc1)C
SPLASH splash10-000b-0009800000-04f24115447021b44a82
Source of Spectrum Y-46-1117-7
Synonyms 9,9-Dimethyl-3-(4-methylphenoxy)-6-(2-methylphenyl)-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
Wiley ID 1666979