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2-(1-methyl-1H-pyrazol-4-yl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-4-quinolinecarboxamide
SpectraBase Compound ID 6eAFVmynVmY
InChI InChI=1S/C22H21F3N6O/c1-14-10-20(22(23,24)25)29-31(14)9-5-8-26-21(32)17-11-19(15-12-27-30(2)13-15)28-18-7-4-3-6-16(17)18/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,26,32)
InChIKey AOLJVSGBZDCQQA-UHFFFAOYSA-N
Mol Weight 442.45 g/mol
Molecular Formula C22H21F3N6O
Exact Mass 442.172894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3tlfLK07p8S
Name 2-(1-methyl-1H-pyrazol-4-yl)-N-{3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-4-quinolinecarboxamide
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/C22H21F3N6O/c1-14-10-20(22(23,24)25)29-31(14)9-5-8-26-21(32)17-11-19(15-12-27-30(2)13-15)28-18-7-4-3-6-16(17)18/h3-4,6-7,10-13H,5,8-9H2,1-2H3,(H,26,32)
InChIKey AOLJVSGBZDCQQA-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_30039
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: 1584563; SBI_ID: SBI-030043
Temperature 315 °C