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3-(3,4-Dimethoxyphenyl)-11-(3-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 6MPwmBRFnGd
InChI InChI=1S/C27H26N2O4/c1-32-24-11-10-16(15-25(24)33-2)18-13-22-26(23(31)14-18)27(17-6-5-7-19(30)12-17)29-21-9-4-3-8-20(21)28-22/h3-12,15,18,27-30H,13-14H2,1-2H3
InChIKey MTEXHNHGKQLPMQ-UHFFFAOYSA-N
Mol Weight 442.52 g/mol
Molecular Formula C27H26N2O4
Exact Mass 442.189257 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E7KKpDxJXHX
Name 3-(3,4-Dimethoxyphenyl)-11-(3-hydroxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-(3,4-dimethoxyphenyl)-6-(3-hydroxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
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Formula C27H26N2O4
InChI InChI=1S/C27H26N2O4/c1-32-24-11-10-16(15-25(24)33-2)18-13-22-26(23(31)14-18)27(17-6-5-7-19(30)12-17)29-21-9-4-3-8-20(21)28-22/h3-12,15,18,27-30H,13-14H2,1-2H3
InChIKey MTEXHNHGKQLPMQ-UHFFFAOYSA-N
Molecular Weight 442.515 g/mol
SMILES N1c2ccccc2NC(c2cc(ccc2)O)C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC
SPLASH splash10-0007-8942000000-be1e7418a56b7c70fc52
Wiley ID 1448210