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3H-pyrazol-3-one, 2-(2-benzothiazolyl)-4-[1-[(3-fluorophenyl)amino]ethylidene]-2,4-dihydro-5-propyl-, (4E)-
SpectraBase Compound ID 6UAJdeW31MW
InChI InChI=1S/C21H19FN4OS/c1-3-7-17-19(13(2)23-15-9-6-8-14(22)12-15)20(27)26(25-17)21-24-16-10-4-5-11-18(16)28-21/h4-6,8-12,23H,3,7H2,1-2H3/b19-13+
InChIKey JBDKOWNFTKQIAG-CPNJWEJPSA-N
Mol Weight 394.47 g/mol
Molecular Formula C21H19FN4OS
Exact Mass 394.126361 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JImTuYNrFbC
Name 3H-pyrazol-3-one, 2-(2-benzothiazolyl)-4-[1-[(3-fluorophenyl)amino]ethylidene]-2,4-dihydro-5-propyl-, (4E)-
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/C21H19FN4OS/c1-3-7-17-19(13(2)23-15-9-6-8-14(22)12-15)20(27)26(25-17)21-24-16-10-4-5-11-18(16)28-21/h4-6,8-12,23H,3,7H2,1-2H3/b19-13+
InChIKey JBDKOWNFTKQIAG-CPNJWEJPSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_166
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/11249863