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3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[(2-methyl-4-nitrophenyl)amino]methylene]-, (4E)-
SpectraBase Compound ID 106nK8fVxTj
InChI InChI=1S/C20H20N4O3/c1-12-5-6-16(9-13(12)2)23-20(25)18(15(4)22-23)11-21-19-8-7-17(24(26)27)10-14(19)3/h5-11,21H,1-4H3/b18-11+
InChIKey MJWKPVYFGAPWAW-WOJGMQOQSA-N
Mol Weight 364.41 g/mol
Molecular Formula C20H20N4O3
Exact Mass 364.153541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 12Bur45up9S
Name 3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[(2-methyl-4-nitrophenyl)amino]methylene]-, (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/C20H20N4O3/c1-12-5-6-16(9-13(12)2)23-20(25)18(15(4)22-23)11-21-19-8-7-17(24(26)27)10-14(19)3/h5-11,21H,1-4H3/b18-11+
InChIKey MJWKPVYFGAPWAW-WOJGMQOQSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1598
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-205/5058016; Labnumber: MAR1167; IOH_ID: IOH-008601