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11-(3,4-Difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID CkiJjmMjpMO
InChI InChI=1S/C27H24F2N2O3/c1-33-24-10-8-15(14-25(24)34-2)17-12-22-26(23(32)13-17)27(16-7-9-18(28)19(29)11-16)31-21-6-4-3-5-20(21)30-22/h3-11,14,17,27,30-31H,12-13H2,1-2H3
InChIKey BNVMNDMPSBCPFO-UHFFFAOYSA-N
Mol Weight 462.5 g/mol
Molecular Formula C27H24F2N2O3
Exact Mass 462.175499 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G9DpuNbOjko
Name 11-(3,4-Difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 6-(3,4-difluorophenyl)-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one 6-[3,4-bis(fluoranyl)phenyl]-9-(3,4-dimethoxyphenyl)-5,6,8,9,10,11-hexahydrobenzo[b][1,4]benzodiazepin-7-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24F2N2O3
InChI InChI=1S/C27H24F2N2O3/c1-33-24-10-8-15(14-25(24)34-2)17-12-22-26(23(32)13-17)27(16-7-9-18(28)19(29)11-16)31-21-6-4-3-5-20(21)30-22/h3-11,14,17,27,30-31H,12-13H2,1-2H3
InChIKey BNVMNDMPSBCPFO-UHFFFAOYSA-N
Molecular Weight 462.497 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1cc(OC)c(cc1)OC)c1cc(F)c(cc1)F
SPLASH splash10-0002-3976200000-90438f72bee12c95405c
Wiley ID 1454558