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5-{[4-(3-bromobenzyl)-1-piperazinyl]carbonyl}-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID 7j7UXV5GaXj
InChI InChI=1S/C24H20BrF3N4OS/c25-17-6-4-5-16(13-17)15-30-9-11-31(12-10-30)22(33)20-14-19-21(24(26,27)28)29-32(23(19)34-20)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2
InChIKey UFHYZEAQHLDUIE-UHFFFAOYSA-N
Mol Weight 549.41 g/mol
Molecular Formula C24H20BrF3N4OS
Exact Mass 548.04933 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 35rSNMxdfrd
Name 5-{[4-(3-bromobenzyl)-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/C24H20BrF3N4OS/c25-17-6-4-5-16(13-17)15-30-9-11-31(12-10-30)22(33)20-14-19-21(24(26,27)28)29-32(23(19)34-20)18-7-2-1-3-8-18/h1-8,13-14H,9-12,15H2
InChIKey UFHYZEAQHLDUIE-UHFFFAOYSA-N
NMR Offset 17.9073
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_32402
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: 1847659; SBI_ID: SBI-032406
Temperature 303 °C