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3H-pyrazol-3-one, 4-[[(5-chloro-2-pyridinyl)amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (4Z)-
SpectraBase Compound ID ig7rfh7DtZ
InChI InChI=1S/C17H15ClN4O/c1-11-3-6-14(7-4-11)22-17(23)15(12(2)21-22)10-20-16-8-5-13(18)9-19-16/h3-10H,1-2H3,(H,19,20)/b15-10-
InChIKey MIKKEJRZYOZEPX-GDNBJRDFSA-N
Mol Weight 326.79 g/mol
Molecular Formula C17H15ClN4O
Exact Mass 326.093439 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Jby7vHRrTQ
Name 3H-pyrazol-3-one, 4-[[(5-chloro-2-pyridinyl)amino]methylene]-2,4-dihydro-5-methyl-2-(4-methylphenyl)-, (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/C17H15ClN4O/c1-11-3-6-14(7-4-11)22-17(23)15(12(2)21-22)10-20-16-8-5-13(18)9-19-16/h3-10H,1-2H3,(H,19,20)/b15-10-
InChIKey MIKKEJRZYOZEPX-GDNBJRDFSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3769
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: AG-205/5058038; Labnumber: MAR1189; IOH_ID: IOH-010772