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1-piperazinecarbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-(4-pyridinyl)ethyl]-
SpectraBase Compound ID 13yk77BjvM2
InChI InChI=1S/C19H20ClF3N4S/c20-16-2-1-15(19(21,22)23)13-17(16)25-18(28)27-11-9-26(10-12-27)8-5-14-3-6-24-7-4-14/h1-4,6-7,13H,5,8-12H2,(H,25,28)
InChIKey FUYPWWAFGFPOCC-UHFFFAOYSA-N
Mol Weight 428.91 g/mol
Molecular Formula C19H20ClF3N4S
Exact Mass 428.10493 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FXSFjTOcAoL
Name 1-piperazinecarbothioamide, N-[2-chloro-5-(trifluoromethyl)phenyl]-4-[2-(4-pyridinyl)ethyl]-
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/C19H20ClF3N4S/c20-16-2-1-15(19(21,22)23)13-17(16)25-18(28)27-11-9-26(10-12-27)8-5-14-3-6-24-7-4-14/h1-4,6-7,13H,5,8-12H2,(H,25,28)
InChIKey FUYPWWAFGFPOCC-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_8191
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: F31753; Labnumber: NNA-V-18259