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5-{[4-(4-chlorobenzyl)-1-piperazinyl]carbonyl}-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID ITl4wlKz3wH
InChI InChI=1S/C24H20ClF3N4OS/c25-17-8-6-16(7-9-17)15-30-10-12-31(13-11-30)22(33)20-14-19-21(24(26,27)28)29-32(23(19)34-20)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKey NEGMSTUXHWFHEC-UHFFFAOYSA-N
Mol Weight 504.96 g/mol
Molecular Formula C24H20ClF3N4OS
Exact Mass 504.099845 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Dzq5sQMq9c
Name 5-{[4-(4-chlorobenzyl)-1-piperazinyl]carbonyl}-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
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/C24H20ClF3N4OS/c25-17-8-6-16(7-9-17)15-30-10-12-31(13-11-30)22(33)20-14-19-21(24(26,27)28)29-32(23(19)34-20)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKey NEGMSTUXHWFHEC-UHFFFAOYSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32423
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: 1847697; SBI_ID: SBI-032427
Temperature 303 °C