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2-(1,3-benzodioxol-5-yl)-4-{[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl}quinoline
SpectraBase Compound ID Jn6GbR9XAl4
InChI InChI=1S/C29H27N3O3/c1-19-6-5-9-26(20(19)2)31-12-14-32(15-13-31)29(33)23-17-25(30-24-8-4-3-7-22(23)24)21-10-11-27-28(16-21)35-18-34-27/h3-11,16-17H,12-15,18H2,1-2H3
InChIKey JNCDZRQLWCISDU-UHFFFAOYSA-N
Mol Weight 465.55 g/mol
Molecular Formula C29H27N3O3
Exact Mass 465.205242 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlwT9ZdeCY6
Name 2-(1,3-benzodioxol-5-yl)-4-{[4-(2,3-dimethylphenyl)-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/C29H27N3O3/c1-19-6-5-9-26(20(19)2)31-12-14-32(15-13-31)29(33)23-17-25(30-24-8-4-3-7-22(23)24)21-10-11-27-28(16-21)35-18-34-27/h3-11,16-17H,12-15,18H2,1-2H3
InChIKey JNCDZRQLWCISDU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16969
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/8200595; UBI_ID: UBI-016972
Temperature 318 °C