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3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[[3-(trifluoromethyl)phenyl]amino]methylene]-, (4Z)-
SpectraBase Compound ID 7gdfsTkMemv
InChI InChI=1S/C20H18F3N3O/c1-12-7-8-17(9-13(12)2)26-19(27)18(14(3)25-26)11-24-16-6-4-5-15(10-16)20(21,22)23/h4-11,24H,1-3H3/b18-11-
InChIKey KIPBNONLWCCQOV-WQRHYEAKSA-N
Mol Weight 373.38 g/mol
Molecular Formula C20H18F3N3O
Exact Mass 373.140197 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wzj8fIAVIQ
Name 3H-pyrazol-3-one, 2-(3,4-dimethylphenyl)-2,4-dihydro-5-methyl-4-[[[3-(trifluoromethyl)phenyl]amino]methylene]-, (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/C20H18F3N3O/c1-12-7-8-17(9-13(12)2)26-19(27)18(14(3)25-26)11-24-16-6-4-5-15(10-16)20(21,22)23/h4-11,24H,1-3H3/b18-11-
InChIKey KIPBNONLWCCQOV-WQRHYEAKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_1591
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-205/5057918; Labnumber: MAR1069; IOH_ID: IOH-008594