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(4Z)-4-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
SpectraBase Compound ID riTJ0ahccp
InChI InChI=1S/C22H20N4O/c1-15-12-18(17(3)25(15)20-10-7-11-23-14-20)13-21-16(2)24-26(22(21)27)19-8-5-4-6-9-19/h4-14H,1-3H3/b21-13-
InChIKey REBPHPLMEBXQFT-BKUYFWCQSA-N
Mol Weight 356.43 g/mol
Molecular Formula C22H20N4O
Exact Mass 356.163711 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LZEep9pYAe5
Name (4Z)-4-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]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/C22H20N4O/c1-15-12-18(17(3)25(15)20-10-7-11-23-14-20)13-21-16(2)24-26(22(21)27)19-8-5-4-6-9-19/h4-14H,1-3H3/b21-13-
InChIKey REBPHPLMEBXQFT-BKUYFWCQSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_21267
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/9685721; UBI_ID: UBI-021271
Synonyms 4-{[2,5-dimethyl-1-(3-pyridinyl)-1H-pyrrol-3-yl]methylene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Temperature 318 °C