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6-bromo-2-(3-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
SpectraBase Compound ID Av7e7ucZLwK
InChI InChI=1S/C28H23BrF3N3O/c1-18-4-2-5-19(14-18)26-17-24(23-16-21(29)8-9-25(23)33-26)27(36)35-12-10-34(11-13-35)22-7-3-6-20(15-22)28(30,31)32/h2-9,14-17H,10-13H2,1H3
InChIKey CQBMZCMNLLFQBV-UHFFFAOYSA-N
Mol Weight 554.41 g/mol
Molecular Formula C28H23BrF3N3O
Exact Mass 553.09766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BqDKrKpcaBe
Name 6-bromo-2-(3-methylphenyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C28H23BrF3N3O/c1-18-4-2-5-19(14-18)26-17-24(23-16-21(29)8-9-25(23)33-26)27(36)35-12-10-34(11-13-35)22-7-3-6-20(15-22)28(30,31)32/h2-9,14-17H,10-13H2,1H3
InChIKey CQBMZCMNLLFQBV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16133
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/1009573; Labnumber: NSB-0100833; UZI_ID: UZI-016137
Temperature 318 °C