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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

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3eyjlAXbebT
Name 1H-dibenzo[b,e][1,4]diazepin-1-one, 3-(2-chlorophenyl)-2,3,4,5,10,11-hexahydro-11-[3-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 468.121625460 u
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
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_9352
Solvent DMSO-d6
Source Vendor ID: NMR/10240494; Lab Info: SAS; Lab Number: SAS-tst3682
Temperature 29.85 °C