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methyl 4-({(Z)-[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
SpectraBase Compound ID 3OeiOZc6L1D
InChI InChI=1S/C21H21N3O3/c1-13-5-10-19(14(2)11-13)24-20(25)18(15(3)23-24)12-22-17-8-6-16(7-9-17)21(26)27-4/h5-12,22H,1-4H3/b18-12-
InChIKey LMFVMOPMEOESHK-PDGQHHTCSA-N
Mol Weight 363.42 g/mol
Molecular Formula C21H21N3O3
Exact Mass 363.158292 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CFzRdybRWJB
Name methyl 4-({(Z)-[1-(2,4-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/C21H21N3O3/c1-13-5-10-19(14(2)11-13)24-20(25)18(15(3)23-24)12-22-17-8-6-16(7-9-17)21(26)27-4/h5-12,22H,1-4H3/b18-12-
InChIKey LMFVMOPMEOESHK-PDGQHHTCSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16055
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/8066533; UBI_ID: UBI-016058
Synonyms methyl 4-({[1-(2,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Temperature 313 °C