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ethyl 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 FMHE5Vgqj24
InChI InChI=1S/C22H22ClN3O3/c1-5-29-22(28)18-11-16(7-9-20(18)23)24-12-19-15(4)25-26(21(19)27)17-8-6-13(2)14(3)10-17/h6-12,24H,5H2,1-4H3/b19-12-
InChIKey GDLVUUREYRZTTI-UNOMPAQXSA-N
Mol Weight 411.89 g/mol
Molecular Formula C22H22ClN3O3
Exact Mass 411.134969 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8tXbuAmjGMc
Name ethyl 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/C22H22ClN3O3/c1-5-29-22(28)18-11-16(7-9-20(18)23)24-12-19-15(4)25-26(21(19)27)17-8-6-13(2)14(3)10-17/h6-12,24H,5H2,1-4H3/b19-12-
InChIKey GDLVUUREYRZTTI-UNOMPAQXSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_16076
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/8068027; UBI_ID: UBI-016079
Synonyms ethyl 2-chloro-5-({[1-(3,4-dimethylphenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Temperature 313 °C