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3H-pyrazol-3-one, 2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-2,4-dihydro-5-methyl-, (4Z)-

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3H-pyrazol-3-one, 2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-2,4-dihydro-5-methyl-, (4Z)-
SpectraBase Compound ID 9hcjuiMBOf7
InChI InChI=1S/C21H16Cl2N4O2/c1-12-18(20(28)26(24-12)16-7-3-14(22)4-8-16)11-19-13(2)25-27(21(19)29)17-9-5-15(23)6-10-17/h3-11,28H,1-2H3/b19-11-
InChIKey RQWPOQSYOJOYLX-ODLFYWEKSA-N
Mol Weight 427.29 g/mol
Molecular Formula C21H16Cl2N4O2
Exact Mass 426.065031 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1FZ9KjZNTi
Name 3H-pyrazol-3-one, 2-(4-chlorophenyl)-4-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-2,4-dihydro-5-methyl-, (4Z)-
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/C21H16Cl2N4O2/c1-12-18(20(28)26(24-12)16-7-3-14(22)4-8-16)11-19-13(2)25-27(21(19)29)17-9-5-15(23)6-10-17/h3-11,28H,1-2H3/b19-11-
InChIKey RQWPOQSYOJOYLX-ODLFYWEKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3746
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: AG-205/5057581; Labnumber: MAR-732; IOH_ID: IOH-010749