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6-bromo-2-(4-tert-butylphenyl)-4-{[4-(5-chloro-2-methylphenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID HegyAA6wRdx
InChI InChI=1S/C31H31BrClN3O/c1-20-5-11-24(33)18-29(20)35-13-15-36(16-14-35)30(37)26-19-28(34-27-12-10-23(32)17-25(26)27)21-6-8-22(9-7-21)31(2,3)4/h5-12,17-19H,13-16H2,1-4H3
InChIKey PEECBPGELQPOSJ-UHFFFAOYSA-N
Mol Weight 576.97 g/mol
Molecular Formula C31H31BrClN3O
Exact Mass 575.133903 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BmE5mafdeT7
Name 6-bromo-2-(4-tert-butylphenyl)-4-{[4-(5-chloro-2-methylphenyl)-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/C31H31BrClN3O/c1-20-5-11-24(33)18-29(20)35-13-15-36(16-14-35)30(37)26-19-28(34-27-12-10-23(32)17-25(26)27)21-6-8-22(9-7-21)31(2,3)4/h5-12,17-19H,13-16H2,1-4H3
InChIKey PEECBPGELQPOSJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2324
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/9428408; Labnumber: AM-AC/0191500; UZI_ID: UZI-002326
Temperature 308 °C