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1-pyridineacetic acid, 3-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-5-cyano-1,2,3,6-tetrahydro-4-methyl-2,6-dioxo-, (3Z)-

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1-pyridineacetic acid, 3-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-5-cyano-1,2,3,6-tetrahydro-4-methyl-2,6-dioxo-, (3Z)-
SpectraBase Compound ID EFhrK4aXk5g
InChI InChI=1S/C20H15ClN4O5/c1-10-14(18(28)24(9-17(26)27)19(29)16(10)8-22)7-15-11(2)23-25(20(15)30)13-5-3-12(21)4-6-13/h3-7,30H,9H2,1-2H3,(H,26,27)/b14-7-
InChIKey WSKHTTQBFWDQAN-AUWJEWJLSA-N
Mol Weight 426.82 g/mol
Molecular Formula C20H15ClN4O5
Exact Mass 426.073097 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 708Nvime5gI
Name 1-pyridineacetic acid, 3-[[1-(4-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-yl]methylene]-5-cyano-1,2,3,6-tetrahydro-4-methyl-2,6-dioxo-, (3Z)-
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/C20H15ClN4O5/c1-10-14(18(28)24(9-17(26)27)19(29)16(10)8-22)7-15-11(2)23-25(20(15)30)13-5-3-12(21)4-6-13/h3-7,30H,9H2,1-2H3,(H,26,27)/b14-7-
InChIKey WSKHTTQBFWDQAN-AUWJEWJLSA-N
NMR Offset 18.5111
NMR Spectrometer Frequency 200.133
Observed nucleus 1H
Origin 1H_ASIOH_8516_3755
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-205/5057841; Labnumber: MAR-992; IOH_ID: IOH-010758
Temperature 313 °C