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3H-pyrazol-3-one, 4-[[(2-bromophenyl)amino]methylene]-2-(3-chlorophenyl)-2,4-dihydro-5-methyl-, (4E)-
SpectraBase Compound ID BNPtmu2VUD8
InChI InChI=1S/C17H13BrClN3O/c1-11-14(10-20-16-8-3-2-7-15(16)18)17(23)22(21-11)13-6-4-5-12(19)9-13/h2-10,20H,1H3/b14-10+
InChIKey VCBLKRPKPBMTRY-GXDHUFHOSA-N
Mol Weight 390.67 g/mol
Molecular Formula C17H13BrClN3O
Exact Mass 388.993053 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KJgxUBCwryj
Name 3H-pyrazol-3-one, 4-[[(2-bromophenyl)amino]methylene]-2-(3-chlorophenyl)-2,4-dihydro-5-methyl-, (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/C17H13BrClN3O/c1-11-14(10-20-16-8-3-2-7-15(16)18)17(23)22(21-11)13-6-4-5-12(19)9-13/h2-10,20H,1H3/b14-10+
InChIKey VCBLKRPKPBMTRY-GXDHUFHOSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3778
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-205/5058168; Labnumber: MAR1319; IOH_ID: IOH-010781