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3H-pyrazol-3-one, 4-[[4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-ethoxyphenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)-
SpectraBase Compound ID FDiwbO5yHu9
InChI InChI=1S/C23H18ClFN4O3/c1-3-31-20-12-15(9-10-19(20)32-21-18(25)13-26-23(24)27-21)11-17-14(2)28-29(22(17)30)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b17-11+
InChIKey AVQGWNMTGGQPGU-GZTJUZNOSA-N
Mol Weight 452.87 g/mol
Molecular Formula C23H18ClFN4O3
Exact Mass 452.105146 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3ARAVwFBeAY
Name 3H-pyrazol-3-one, 4-[[4-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-3-ethoxyphenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)-
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/C23H18ClFN4O3/c1-3-31-20-12-15(9-10-19(20)32-21-18(25)13-26-23(24)27-21)11-17-14(2)28-29(22(17)30)16-7-5-4-6-8-16/h4-13H,3H2,1-2H3/b17-11+
InChIKey AVQGWNMTGGQPGU-GZTJUZNOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7776
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/10329771