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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(3-methylphenyl)quinoline
SpectraBase Compound ID DFoyOPjdYjP
InChI InChI=1S/C29H26BrN3O3/c1-19-3-2-4-21(13-19)26-16-24(23-15-22(30)6-7-25(23)31-26)29(34)33-11-9-32(10-12-33)17-20-5-8-27-28(14-20)36-18-35-27/h2-8,13-16H,9-12,17-18H2,1H3
InChIKey XDKWNVUVBNHOFK-UHFFFAOYSA-N
Mol Weight 544.45 g/mol
Molecular Formula C29H26BrN3O3
Exact Mass 543.115755 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CpjCNgZhh7y
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(3-methylphenyl)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/C29H26BrN3O3/c1-19-3-2-4-21(13-19)26-16-24(23-15-22(30)6-7-25(23)31-26)29(34)33-11-9-32(10-12-33)17-20-5-8-27-28(14-20)36-18-35-27/h2-8,13-16H,9-12,17-18H2,1H3
InChIKey XDKWNVUVBNHOFK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_16097
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/1009726; Labnumber: NSB-0100784; UZI_ID: UZI-016101
Temperature 318 °C