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methyl 2-chloro-5-({(Z)-[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
SpectraBase Compound ID KrCbwVXOoaX
InChI InChI=1S/C20H18ClN3O3/c1-12-4-7-15(8-5-12)24-19(25)17(13(2)23-24)11-22-14-6-9-18(21)16(10-14)20(26)27-3/h4-11,22H,1-3H3/b17-11-
InChIKey JEBIMMJOUTZHSJ-BOPFTXTBSA-N
Mol Weight 383.84 g/mol
Molecular Formula C20H18ClN3O3
Exact Mass 383.103669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2LWcWmeog63
Name methyl 2-chloro-5-({(Z)-[3-methyl-1-(4-methylphenyl)-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/C20H18ClN3O3/c1-12-4-7-15(8-5-12)24-19(25)17(13(2)23-24)11-22-14-6-9-18(21)16(10-14)20(26)27-3/h4-11,22H,1-3H3/b17-11-
InChIKey JEBIMMJOUTZHSJ-BOPFTXTBSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_5172
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/8052000; Labnumber: BMW-98069T; UZI_ID: UZI-005174
Synonyms methyl 2-chloro-5-({[3-methyl-1-(4-methylphenyl)-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}amino)benzoate
Temperature 313 °C