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3,6-dimethyl-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine

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3,6-dimethyl-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
SpectraBase Compound ID 7I4CKlJNxLo
InChI InChI=1S/C21H22F3N5O/c1-14-12-17(21(22,23)24)19-15(2)26-29(20(19)25-14)13-18(30)28-10-8-27(9-11-28)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
InChIKey BQBCIHBTNCIQHJ-UHFFFAOYSA-N
Mol Weight 417.44 g/mol
Molecular Formula C21H22F3N5O
Exact Mass 417.177645 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CfRcLBsjrwI
Name 3,6-dimethyl-1-[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridine
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/C21H22F3N5O/c1-14-12-17(21(22,23)24)19-15(2)26-29(20(19)25-14)13-18(30)28-10-8-27(9-11-28)16-6-4-3-5-7-16/h3-7,12H,8-11,13H2,1-2H3
InChIKey BQBCIHBTNCIQHJ-UHFFFAOYSA-N
NMR Offset 17.9105
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_31797
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: 1843364; SBI_ID: SBI-031801
Temperature 303 °C