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3H-pyrazol-3-one, 2-(3-chloro-4-methylphenyl)-2,4-dihydro-5-methyl-4-[[4-(4-morpholinyl)phenyl]methylene]-, (4Z)-
SpectraBase Compound ID 4YfOeOSUB5P
InChI InChI=1S/C22H22ClN3O2/c1-15-3-6-19(14-21(15)23)26-22(27)20(16(2)24-26)13-17-4-7-18(8-5-17)25-9-11-28-12-10-25/h3-8,13-14H,9-12H2,1-2H3/b20-13-
InChIKey KJYQNIKVISLHAL-MOSHPQCFSA-N
Mol Weight 395.89 g/mol
Molecular Formula C22H22ClN3O2
Exact Mass 395.140055 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DmUtXUqun4q
Name 3H-pyrazol-3-one, 2-(3-chloro-4-methylphenyl)-2,4-dihydro-5-methyl-4-[[4-(4-morpholinyl)phenyl]methylene]-, (4Z)-
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/C22H22ClN3O2/c1-15-3-6-19(14-21(15)23)26-22(27)20(16(2)24-26)13-17-4-7-18(8-5-17)25-9-11-28-12-10-25/h3-8,13-14H,9-12H2,1-2H3/b20-13-
InChIKey KJYQNIKVISLHAL-MOSHPQCFSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1218
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: NMR/11259353