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4-({[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl}amino)benzamide
SpectraBase Compound ID LKpC3qRs2h5
InChI InChI=1S/C18H16F3N5O2/c1-9-7-13(18(19,20)21)15-10(2)25-26(17(15)23-9)8-14(27)24-12-5-3-11(4-6-12)16(22)28/h3-7H,8H2,1-2H3,(H2,22,28)(H,24,27)
InChIKey KEZSYVGETABOTQ-UHFFFAOYSA-N
Mol Weight 391.35 g/mol
Molecular Formula C18H16F3N5O2
Exact Mass 391.125609 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JfSR6JHhhI0
Name 4-({[3,6-dimethyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetyl}amino)benzamide
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/C18H16F3N5O2/c1-9-7-13(18(19,20)21)15-10(2)25-26(17(15)23-9)8-14(27)24-12-5-3-11(4-6-12)16(22)28/h3-7H,8H2,1-2H3,(H2,22,28)(H,24,27)
InChIKey KEZSYVGETABOTQ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_31795
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: 1843362; SBI_ID: SBI-031799
Temperature 318 °C