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methyl 2-chloro-5-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
SpectraBase Compound ID I4ILpoetFEN
InChI InChI=1S/C21H20ClN3O3/c1-12-5-7-16(9-13(12)2)25-20(26)18(14(3)24-25)11-23-15-6-8-19(22)17(10-15)21(27)28-4/h5-11,23H,1-4H3/b18-11-
InChIKey AXYJJTWNZMMXTO-WQRHYEAKSA-N
Mol Weight 397.86 g/mol
Molecular Formula C21H20ClN3O3
Exact Mass 397.119319 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6Tcynoi5WOz
Name methyl 2-chloro-5-({(Z)-[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
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/C21H20ClN3O3/c1-12-5-7-16(9-13(12)2)25-20(26)18(14(3)24-25)11-23-15-6-8-19(22)17(10-15)21(27)28-4/h5-11,23H,1-4H3/b18-11-
InChIKey AXYJJTWNZMMXTO-WQRHYEAKSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_2947
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: UZI/8074307; UBI_ID: UBI-002948
Synonyms methyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Temperature 313 °C