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2-chloro-5-((4E)-4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
SpectraBase Compound ID 7956LNBr5dF
InChI InChI=1S/C21H20ClN3O3/c1-4-24(3)15-7-5-14(6-8-15)11-17-13(2)23-25(20(17)26)16-9-10-19(22)18(12-16)21(27)28/h5-12H,4H2,1-3H3,(H,27,28)/b17-11+
InChIKey XGSOGDYXRKTESF-GZTJUZNOSA-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 EnPOnY2Kl2j
Name 2-chloro-5-((4E)-4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
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/c1-4-24(3)15-7-5-14(6-8-15)11-17-13(2)23-25(20(17)26)16-9-10-19(22)18(12-16)21(27)28/h5-12H,4H2,1-3H3,(H,27,28)/b17-11+
InChIKey XGSOGDYXRKTESF-GZTJUZNOSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_15793
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/8033534; UBI_ID: UBI-015796
Synonyms 2-chloro-5-(4-{4-[ethyl(methyl)amino]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzoic acid
Temperature 313 °C