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(4Z)-4-{[(6-bromo-8-quinolinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID 4BKqVVEEHUr
InChI InChI=1S/C20H15BrN4O/c1-13-17(20(26)25(24-13)16-7-3-2-4-8-16)12-23-18-11-15(21)10-14-6-5-9-22-19(14)18/h2-12,23H,1H3/b17-12-
InChIKey ZRABDBKFLXJLTI-ATVHPVEESA-N
Mol Weight 407.27 g/mol
Molecular Formula C20H15BrN4O
Exact Mass 406.042924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B070ufzLLcr
Name (4Z)-4-{[(6-bromo-8-quinolinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
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/C20H15BrN4O/c1-13-17(20(26)25(24-13)16-7-3-2-4-8-16)12-23-18-11-15(21)10-14-6-5-9-22-19(14)18/h2-12,23H,1H3/b17-12-
InChIKey ZRABDBKFLXJLTI-ATVHPVEESA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20073
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: D17581; Labnumber: ULGA8-1164; SBI_ID: SBI-020077
Synonyms 4-{[(6-bromo-8-quinolinyl)amino]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 306 °C