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3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[(4-methylphenyl)amino]methylene]-2-(tetrahydro-1,1-dioxido-3-thienyl)-, (4E)-
SpectraBase Compound ID 53Ob3IEHtIS
InChI InChI=1S/C16H19N3O3S/c1-11-3-5-13(6-4-11)17-9-15-12(2)18-19(16(15)20)14-7-8-23(21,22)10-14/h3-6,9,14,17H,7-8,10H2,1-2H3/b15-9+
InChIKey XCRZQBPOFUUIFM-OQLLNIDSSA-N
Mol Weight 333.41 g/mol
Molecular Formula C16H19N3O3S
Exact Mass 333.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4DB1uKOnT3u
Name 3H-pyrazol-3-one, 2,4-dihydro-5-methyl-4-[[(4-methylphenyl)amino]methylene]-2-(tetrahydro-1,1-dioxido-3-thienyl)-, (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/C16H19N3O3S/c1-11-3-5-13(6-4-11)17-9-15-12(2)18-19(16(15)20)14-7-8-23(21,22)10-14/h3-6,9,14,17H,7-8,10H2,1-2H3/b15-9+
InChIKey XCRZQBPOFUUIFM-OQLLNIDSSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3831
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: F18568; Labnumber: ExLab-197025