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6-bromo-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}-2-(5-ethyl-2-thienyl)quinoline
SpectraBase Compound ID JPZjcK7Vxm6
InChI InChI=1S/C28H28BrN3O2S/c1-3-20-10-12-27(35-20)24-18-22(21-17-19(29)9-11-23(21)30-24)28(33)32-15-13-31(14-16-32)25-7-5-6-8-26(25)34-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3
InChIKey NHVKNTQKEWFHAB-UHFFFAOYSA-N
Mol Weight 550.52 g/mol
Molecular Formula C28H28BrN3O2S
Exact Mass 549.108561 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9ShrT6zYSky
Name 6-bromo-4-{[4-(2-ethoxyphenyl)-1-piperazinyl]carbonyl}-2-(5-ethyl-2-thienyl)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/C28H28BrN3O2S/c1-3-20-10-12-27(35-20)24-18-22(21-17-19(29)9-11-23(21)30-24)28(33)32-15-13-31(14-16-32)25-7-5-6-8-26(25)34-4-2/h5-12,17-18H,3-4,13-16H2,1-2H3
InChIKey NHVKNTQKEWFHAB-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7104
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/1267446; Labnumber: COL4162; UZI_ID: UZI-007106
Synonyms 2-(4-{[6-bromo-2-(5-ethyl-2-thienyl)-4-quinolinyl]carbonyl}-1-piperazinyl)phenyl ethyl ether
Temperature 318 °C