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3H-pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-4-[(propylamino)methylene]-, (4E)-
SpectraBase Compound ID 5ZmXXeXYL9a
InChI InChI=1S/C14H16ClN3O/c1-3-8-16-9-13-10(2)17-18(14(13)19)12-6-4-11(15)5-7-12/h4-7,9,16H,3,8H2,1-2H3/b13-9+
InChIKey BNHPMIZPIOCOLB-UKTHLTGXSA-N
Mol Weight 277.75 g/mol
Molecular Formula C14H16ClN3O
Exact Mass 277.09819 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9lozQGOPsRT
Name 3H-pyrazol-3-one, 2-(4-chlorophenyl)-2,4-dihydro-5-methyl-4-[(propylamino)methylene]-, (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/C14H16ClN3O/c1-3-8-16-9-13-10(2)17-18(14(13)19)12-6-4-11(15)5-7-12/h4-7,9,16H,3,8H2,1-2H3/b13-9+
InChIKey BNHPMIZPIOCOLB-UKTHLTGXSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_8516_3751
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-205/5057775; Labnumber: MAR-926; IOH_ID: IOH-010754