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

View entire compound with spectra: 1 NMR

3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-, (4E)-
SpectraBase Compound ID DG925hU9X9r
InChI InChI=1S/C21H17ClN4O2/c1-13-18(20(27)25(23-13)16-8-4-3-5-9-16)12-19-14(2)24-26(21(19)28)17-10-6-7-15(22)11-17/h3-12,27H,1-2H3/b19-12+
InChIKey YTTKVTOPNVXWGX-XDHOZWIPSA-N
Mol Weight 392.85 g/mol
Molecular Formula C21H17ClN4O2
Exact Mass 392.104004 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JBFFSYXMpzg
Name 3H-pyrazol-3-one, 2-(3-chlorophenyl)-2,4-dihydro-4-[(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylene]-5-methyl-, (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/C21H17ClN4O2/c1-13-18(20(27)25(23-13)16-8-4-3-5-9-16)12-19-14(2)24-26(21(19)28)17-10-6-7-15(22)11-17/h3-12,27H,1-2H3/b19-12+
InChIKey YTTKVTOPNVXWGX-XDHOZWIPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_2643
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-205/5115041; Labnumber: MAR003022s; IOH_ID: IOH-009646