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5-({4-[(1-methyl-1H-pyrazol-4-yl)methyl]-1-piperazinyl}carbonyl)-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID I5cInIXnZHP
InChI InChI=1S/C22H21F3N6OS/c1-28-13-15(12-26-28)14-29-7-9-30(10-8-29)20(32)18-11-17-19(22(23,24)25)27-31(21(17)33-18)16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3
InChIKey WTGCQRJOSZISIJ-UHFFFAOYSA-N
Mol Weight 474.51 g/mol
Molecular Formula C22H21F3N6OS
Exact Mass 474.144965 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FzfNkKPRhze
Name 5-({4-[(1-methyl-1H-pyrazol-4-yl)methyl]-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/C22H21F3N6OS/c1-28-13-15(12-26-28)14-29-7-9-30(10-8-29)20(32)18-11-17-19(22(23,24)25)27-31(21(17)33-18)16-5-3-2-4-6-16/h2-6,11-13H,7-10,14H2,1H3
InChIKey WTGCQRJOSZISIJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32358
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: 1847582; SBI_ID: SBI-032362
Temperature 318 °C