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1-(methylsulfonyl)-N-{5-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-3-yl}-4-piperidinecarboxamide
SpectraBase Compound ID AbslRDxsDge
InChI InChI=1S/C19H23F3N4O3S/c1-13-10-17(23-18(27)15-6-8-25(9-7-15)30(2,28)29)24-26(13)12-14-4-3-5-16(11-14)19(20,21)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,23,24,27)
InChIKey KPVFOAWCRFLPCU-UHFFFAOYSA-N
Mol Weight 444.47 g/mol
Molecular Formula C19H23F3N4O3S
Exact Mass 444.144296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Gg102mPtuim
Name 1-(methylsulfonyl)-N-{5-methyl-1-[3-(trifluoromethyl)benzyl]-1H-pyrazol-3-yl}-4-piperidinecarboxamide
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/C19H23F3N4O3S/c1-13-10-17(23-18(27)15-6-8-25(9-7-15)30(2,28)29)24-26(13)12-14-4-3-5-16(11-14)19(20,21)22/h3-5,10-11,15H,6-9,12H2,1-2H3,(H,23,24,27)
InChIKey KPVFOAWCRFLPCU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30124
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: 1678175; SBI_ID: SBI-030128
Temperature 318 °C