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3H-pyrazol-3-one, 4-[[(3-chlorophenyl)amino]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (4E)-
SpectraBase Compound ID HlXRUGlQiUa
InChI InChI=1S/C17H14ClN3O/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,19H,1H3/b16-11+
InChIKey YBTMJDLMKIJCCC-LFIBNONCSA-N
Mol Weight 311.77 g/mol
Molecular Formula C17H14ClN3O
Exact Mass 311.08254 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IGwy0Dxywqg
Name 3H-pyrazol-3-one, 4-[[(3-chlorophenyl)amino]methylene]-2,4-dihydro-5-methyl-2-phenyl-, (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/C17H14ClN3O/c1-12-16(11-19-14-7-5-6-13(18)10-14)17(22)21(20-12)15-8-3-2-4-9-15/h2-11,19H,1H3/b16-11+
InChIKey YBTMJDLMKIJCCC-LFIBNONCSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3743
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-205/5057511; Labnumber: MAR-662; IOH_ID: IOH-010746