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3-(2-Chlorophenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID DNBfnaYuj50
InChI InChI=1S/C26H20ClF3N2O/c27-19-9-2-1-8-18(19)16-13-22-24(23(33)14-16)25(32-21-11-4-3-10-20(21)31-22)15-6-5-7-17(12-15)26(28,29)30/h1-12,16,25,31-32H,13-14H2
InChIKey GNSHTVDEXCMNSE-UHFFFAOYSA-N
Mol Weight 468.91 g/mol
Molecular Formula C26H20ClF3N2O
Exact Mass 468.121625 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6vXOjzL4CUs
Name 3-(2-Chlorophenyl)-11-[3-(trifluoromethyl)phenyl]-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Alternate Name(s) 9-(2-Chlorophenyl)-6-[3-(trifluoromethyl)phenyl]-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 C26H20ClF3N2O
InChI InChI=1S/C26H20ClF3N2O/c27-19-9-2-1-8-18(19)16-13-22-24(23(33)14-16)25(32-21-11-4-3-10-20(21)31-22)15-6-5-7-17(12-15)26(28,29)30/h1-12,16,25,31-32H,13-14H2
InChIKey GNSHTVDEXCMNSE-UHFFFAOYSA-N
Molecular Weight 468.907 g/mol
SMILES N1c2ccccc2NC(C2=C1CC(CC2=O)c1c(Cl)cccc1)c1cc(C(F)(F)F)ccc1
SPLASH splash10-00di-3947100000-f2ddfab3f762f12b553c
Wiley ID 1455293