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11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
SpectraBase Compound ID JEFKpb4e93o
InChI InChI=1S/C27H19ClF3N3O4/c28-18-10-8-15(9-11-18)25-24-21(13-17(14-23(24)35)16-4-3-5-19(12-16)34(37)38)32-20-6-1-2-7-22(20)33(25)26(36)27(29,30)31/h1-12,17,25,32H,13-14H2
InChIKey BRHZQUUPHVDNJY-UHFFFAOYSA-N
Mol Weight 541.91 g/mol
Molecular Formula C27H19ClF3N3O4
Exact Mass 541.101618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9DXxStoGrAH
Name 11-(4-chlorophenyl)-3-(3-nitrophenyl)-10-(trifluoroacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C27H19ClF3N3O4/c28-18-10-8-15(9-11-18)25-24-21(13-17(14-23(24)35)16-4-3-5-19(12-16)34(37)38)32-20-6-1-2-7-22(20)33(25)26(36)27(29,30)31/h1-12,17,25,32H,13-14H2
InChIKey BRHZQUUPHVDNJY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18209
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9120723; UBI_ID: UBI-018212
Temperature 318 °C