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3-(2-Chlorophenyl)-11-(2,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 2bPQJZKAOMY
InChI InChI=1S/C27H25ClN2O3/c1-32-17-11-12-19(25(15-17)33-2)27-26-23(29-21-9-5-6-10-22(21)30-27)13-16(14-24(26)31)18-7-3-4-8-20(18)28/h3-12,15-16,27,29-30H,13-14H2,1-2H3
InChIKey OXIVWMAVUPUMCJ-UHFFFAOYSA-N
Mol Weight 460.96 g/mol
Molecular Formula C27H25ClN2O3
Exact Mass 460.15537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQx8Pzj0oua
Name 3-(2-Chlorophenyl)-11-(2,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-(2-Chlorophenyl)-6-(2,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C27H25ClN2O3
InChI InChI=1S/C27H25ClN2O3/c1-32-17-11-12-19(25(15-17)33-2)27-26-23(29-21-9-5-6-10-22(21)30-27)13-16(14-24(26)31)18-7-3-4-8-20(18)28/h3-12,15-16,27,29-30H,13-14H2,1-2H3
InChIKey OXIVWMAVUPUMCJ-UHFFFAOYSA-N
Molecular Weight 460.961 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1c(Cl)cccc1)c1c(cc(cc1)OC)OC
SPLASH splash10-02k9-3974400000-c5f594e726b9ae1ab9ab
Wiley ID 1458984