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3H-pyrazol-3-one, 4-[[3-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-4-methoxyphenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)-

View entire compound with spectra: 1 NMR

3H-pyrazol-3-one, 4-[[3-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-4-methoxyphenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)-
SpectraBase Compound ID 9RC0JesHJPx
InChI InChI=1S/C22H16ClFN4O3/c1-13-16(21(29)28(27-13)15-6-4-3-5-7-15)10-14-8-9-18(30-2)19(11-14)31-20-17(24)12-25-22(23)26-20/h3-12H,1-2H3/b16-10+
InChIKey PHDMRXAOILLDQY-MHWRWJLKSA-N
Mol Weight 438.85 g/mol
Molecular Formula C22H16ClFN4O3
Exact Mass 438.089496 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FLgh2AH9lNq
Name 3H-pyrazol-3-one, 4-[[3-[(2-chloro-5-fluoro-4-pyrimidinyl)oxy]-4-methoxyphenyl]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/C22H16ClFN4O3/c1-13-16(21(29)28(27-13)15-6-4-3-5-7-15)10-14-8-9-18(30-2)19(11-14)31-20-17(24)12-25-22(23)26-20/h3-12H,1-2H3/b16-10+
InChIKey PHDMRXAOILLDQY-MHWRWJLKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_2573
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: F15232; Labnumber: ALEKS1-03480