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1-methyl-5-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole
SpectraBase Compound ID 6PXw9OywT9M
InChI InChI=1S/C18H18F3N5OS/c1-24-17-13(15(23-24)18(19,20)21)10-14(28-17)16(27)26-8-6-25(7-9-26)11-12-4-2-3-5-22-12/h2-5,10H,6-9,11H2,1H3
InChIKey QLYXQGQTTPUIEV-UHFFFAOYSA-N
Mol Weight 409.43 g/mol
Molecular Formula C18H18F3N5OS
Exact Mass 409.118416 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AWnPxa007ED
Name 1-methyl-5-{[4-(2-pyridinylmethyl)-1-piperazinyl]carbonyl}-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/C18H18F3N5OS/c1-24-17-13(15(23-24)18(19,20)21)10-14(28-17)16(27)26-8-6-25(7-9-26)11-12-4-2-3-5-22-12/h2-5,10H,6-9,11H2,1H3
InChIKey QLYXQGQTTPUIEV-UHFFFAOYSA-N
NMR Offset 17.9121
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33884
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: 1998015; SBI_ID: SBI-033888
Temperature 303 °C