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1H-indole-1-acetic acid, 3-[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonothioyl]hydrazono]-2,3-dihydro-2-oxo-, (3E)-

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1H-indole-1-acetic acid, 3-[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonothioyl]hydrazono]-2,3-dihydro-2-oxo-, (3E)-
SpectraBase Compound ID HYvzPOgZLty
InChI InChI=1S/C22H20N6O4S/c1-13-18(21(32)28(26(13)2)14-8-4-3-5-9-14)23-22(33)25-24-19-15-10-6-7-11-16(15)27(20(19)31)12-17(29)30/h3-11H,12H2,1-2H3,(H,29,30)(H2,23,25,33)/b24-19+
InChIKey HTGJVVAEMTWDHI-LYBHJNIJSA-N
Mol Weight 464.5 g/mol
Molecular Formula C22H20N6O4S
Exact Mass 464.126674 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID A5ppzupEahv
Name 1H-indole-1-acetic acid, 3-[[[(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)amino]carbonothioyl]hydrazono]-2,3-dihydro-2-oxo-, (3E)-
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/C22H20N6O4S/c1-13-18(21(32)28(26(13)2)14-8-4-3-5-9-14)23-22(33)25-24-19-15-10-6-7-11-16(15)27(20(19)31)12-17(29)30/h3-11H,12H2,1-2H3,(H,29,30)(H2,23,25,33)/b24-19+
InChIKey HTGJVVAEMTWDHI-LYBHJNIJSA-N
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_3668
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/10238456