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5-({4-[(4-methylphenyl)sulfonyl]-1-piperazinyl}carbonyl)-1-phenyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID Kij8t3kENr6
InChI InChI=1S/C24H21F3N4O3S2/c1-16-7-9-18(10-8-16)36(33,34)30-13-11-29(12-14-30)22(32)20-15-19-21(24(25,26)27)28-31(23(19)35-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKey YAOIRVSYZVPRLS-UHFFFAOYSA-N
Mol Weight 534.57 g/mol
Molecular Formula C24H21F3N4O3S2
Exact Mass 534.100717 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Qwhrza3A3c
Name 5-({4-[(4-methylphenyl)sulfonyl]-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/C24H21F3N4O3S2/c1-16-7-9-18(10-8-16)36(33,34)30-13-11-29(12-14-30)22(32)20-15-19-21(24(25,26)27)28-31(23(19)35-20)17-5-3-2-4-6-17/h2-10,15H,11-14H2,1H3
InChIKey YAOIRVSYZVPRLS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_32427
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: 1847703; SBI_ID: SBI-032431
Temperature 318 °C