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2-(5-chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}carbonyl)quinoline
SpectraBase Compound ID 31U6kQOJv1q
InChI InChI=1S/C25H19ClF3N3OS/c26-23-9-8-22(34-23)21-15-19(18-6-1-2-7-20(18)30-21)24(33)32-12-10-31(11-13-32)17-5-3-4-16(14-17)25(27,28)29/h1-9,14-15H,10-13H2
InChIKey PREIPTBERXCFOQ-UHFFFAOYSA-N
Mol Weight 501.96 g/mol
Molecular Formula C25H19ClF3N3OS
Exact Mass 501.088946 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FswiM3jFCB
Name 2-(5-chloro-2-thienyl)-4-({4-[3-(trifluoromethyl)phenyl]-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/C25H19ClF3N3OS/c26-23-9-8-22(34-23)21-15-19(18-6-1-2-7-20(18)30-21)24(33)32-12-10-31(11-13-32)17-5-3-4-16(14-17)25(27,28)29/h1-9,14-15H,10-13H2
InChIKey PREIPTBERXCFOQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19207
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/9137556; UBI_ID: UBI-019210
Temperature 318 °C