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3-(3,4-Dimethoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID 7J90tXU9MNk
InChI InChI=1S/C28H28N2O5/c1-33-24-10-9-17(13-22(24)31)28-27-21(29-19-6-4-5-7-20(19)30-28)12-18(14-23(27)32)16-8-11-25(34-2)26(15-16)35-3/h4-11,13,15,18,28-31H,12,14H2,1-3H3
InChIKey MPTQTIYSHCTNCN-UHFFFAOYSA-N
Mol Weight 472.54 g/mol
Molecular Formula C28H28N2O5
Exact Mass 472.199822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GQzxDwhiEjl
Name 3-(3,4-Dimethoxyphenyl)-11-(3-hydroxy-4-methoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
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Formula C28H28N2O5
InChI InChI=1S/C28H28N2O5/c1-33-24-10-9-17(13-22(24)31)28-27-21(29-19-6-4-5-7-20(19)30-28)12-18(14-23(27)32)16-8-11-25(34-2)26(15-16)35-3/h4-11,13,15,18,28-31H,12,14H2,1-3H3
InChIKey MPTQTIYSHCTNCN-UHFFFAOYSA-N
Molecular Weight 472.541 g/mol
SMILES N1c2ccccc2NC(c2cc(c(cc2)OC)O)C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC
SPLASH splash10-0002-4954100000-f53f02a0d8ff1c0c8098
Synonyms 9-(3,4-dimethoxyphenyl)-6-(3-hydroxy-4-methoxy-phenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 9-(3,4-dimethoxyphenyl)-6-(4-methoxy-3-oxidanyl-phenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Wiley ID 1454997