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4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(2-thienyl)quinoline
SpectraBase Compound ID Jatv1iNW0Ch
InChI InChI=1S/C26H23N3O3S/c30-26(20-15-22(25-6-3-13-33-25)27-21-5-2-1-4-19(20)21)29-11-9-28(10-12-29)16-18-7-8-23-24(14-18)32-17-31-23/h1-8,13-15H,9-12,16-17H2
InChIKey HJLVEWPBFGRHOK-UHFFFAOYSA-N
Mol Weight 457.55 g/mol
Molecular Formula C26H23N3O3S
Exact Mass 457.146013 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6VJMQG3lOFP
Name 4-{[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]carbonyl}-2-(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/C26H23N3O3S/c30-26(20-15-22(25-6-3-13-33-25)27-21-5-2-1-4-19(20)21)29-11-9-28(10-12-29)16-18-7-8-23-24(14-18)32-17-31-23/h1-8,13-15H,9-12,16-17H2
InChIKey HJLVEWPBFGRHOK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_8097
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/9021665; UBI_ID: UBI-008100
Temperature 318 °C