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(4E)-4-(4-chloro-3-nitrobenzylidene)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one

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(4E)-4-(4-chloro-3-nitrobenzylidene)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID LerpIXdhVno
InChI InChI=1S/C17H7ClF5N3O3/c1-6-8(4-7-2-3-9(18)10(5-7)26(28)29)17(27)25(24-6)16-14(22)12(20)11(19)13(21)15(16)23/h2-5H,1H3/b8-4+
InChIKey LGNKQOONTFJJBV-XBXARRHUSA-N
Mol Weight 431.71 g/mol
Molecular Formula C17H7ClF5N3O3
Exact Mass 431.00961 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6ITixfenSUk
Name (4E)-4-(4-chloro-3-nitrobenzylidene)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one
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/C17H7ClF5N3O3/c1-6-8(4-7-2-3-9(18)10(5-7)26(28)29)17(27)25(24-6)16-14(22)12(20)11(19)13(21)15(16)23/h2-5H,1H3/b8-4+
InChIKey LGNKQOONTFJJBV-XBXARRHUSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_6739
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: ZI/6012649; Labnumber: PE-290; IOH_ID: IOH-006740
Synonyms 4-(4-chloro-3-nitrobenzylidene)-5-methyl-2-(2,3,4,5,6-pentafluorophenyl)-2,4-dihydro-3H-pyrazol-3-one