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3H-pyrazol-3-one, 4-[[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
SpectraBase Compound ID LhVpN4qdtIQ
InChI InChI=1S/C22H18ClN7O/c1-14-19(22(31)30(28(14)2)17-6-4-3-5-7-17)27-20-18-12-26-29(21(18)25-13-24-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,24,25,27)
InChIKey YDOHAOWBFNNUFG-UHFFFAOYSA-N
Mol Weight 431.89 g/mol
Molecular Formula C22H18ClN7O
Exact Mass 431.126136 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDpU0tncfMK
Name 3H-pyrazol-3-one, 4-[[1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino]-1,2-dihydro-1,5-dimethyl-2-phenyl-
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/C22H18ClN7O/c1-14-19(22(31)30(28(14)2)17-6-4-3-5-7-17)27-20-18-12-26-29(21(18)25-13-24-20)16-10-8-15(23)9-11-16/h3-13H,1-2H3,(H,24,25,27)
InChIKey YDOHAOWBFNNUFG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6626
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: NMR/10278629