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N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
SpectraBase Compound ID FQQlTXCLqA
InChI InChI=1S/C23H17ClFN7O2/c24-18-7-4-8-19(25)17(18)12-31-10-9-20(29-31)28-21(33)13-30-14-26-22-16(23(30)34)11-27-32(22)15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,28,29,33)
InChIKey SWRRFRBLKLWXII-UHFFFAOYSA-N
Mol Weight 477.89 g/mol
Molecular Formula C23H17ClFN7O2
Exact Mass 477.111629 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 38zKQuur78Y
Name N-[1-(2-chloro-6-fluorobenzyl)-1H-pyrazol-3-yl]-2-(4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide
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/C23H17ClFN7O2/c24-18-7-4-8-19(25)17(18)12-31-10-9-20(29-31)28-21(33)13-30-14-26-22-16(23(30)34)11-27-32(22)15-5-2-1-3-6-15/h1-11,14H,12-13H2,(H,28,29,33)
InChIKey SWRRFRBLKLWXII-UHFFFAOYSA-N
NMR Offset 15.3209
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_33993
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: 1998241; SBI_ID: SBI-033997
Temperature 297 °C