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3H-pyrazol-3-one, 4-[[(3,5-dimethylphenyl)amino]methylene]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-, (4E)-

View entire compound with spectra: 1 NMR

3H-pyrazol-3-one, 4-[[(3,5-dimethylphenyl)amino]methylene]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-, (4E)-
SpectraBase Compound ID FR2mcxFQf3c
InChI InChI=1S/C17H21N3O3S/c1-11-6-12(2)8-14(7-11)18-9-16-13(3)19-20(17(16)21)15-4-5-24(22,23)10-15/h6-9,15,18H,4-5,10H2,1-3H3/b16-9+
InChIKey VHFKZYZRTVMCOQ-CXUHLZMHSA-N
Mol Weight 347.43 g/mol
Molecular Formula C17H21N3O3S
Exact Mass 347.130363 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6k7QOZhQraY
Name 3H-pyrazol-3-one, 4-[[(3,5-dimethylphenyl)amino]methylene]-2,4-dihydro-5-methyl-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/C17H21N3O3S/c1-11-6-12(2)8-14(7-11)18-9-16-13(3)19-20(17(16)21)15-4-5-24(22,23)10-15/h6-9,15,18H,4-5,10H2,1-3H3/b16-9+
InChIKey VHFKZYZRTVMCOQ-CXUHLZMHSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3828
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: F18554; Labnumber: ExLab-196996