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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-methoxyphenyl)quinoline
SpectraBase Compound ID K5hOXMX4ucJ
InChI InChI=1S/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3
InChIKey NWOVIAPDVOTLMI-UHFFFAOYSA-N
Mol Weight 560.45 g/mol
Molecular Formula C29H26BrN3O4
Exact Mass 559.110669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EJVioZF2CyD
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-(4-methoxyphenyl)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/C29H26BrN3O4/c1-35-22-6-3-20(4-7-22)26-16-24(23-15-21(30)5-8-25(23)31-26)29(34)33-12-10-32(11-13-33)17-19-2-9-27-28(14-19)37-18-36-27/h2-9,14-16H,10-13,17-18H2,1H3
InChIKey NWOVIAPDVOTLMI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_2352
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/9379469; Labnumber: AM-AC/0193612; UZI_ID: UZI-002354
Synonyms 4-(4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-6-bromo-2-quinolinyl)phenyl methyl ether
Temperature 308 °C