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3H-pyrazol-3-one, 4-[[(4-chloro-3-nitrophenyl)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-[[(4-chloro-3-nitrophenyl)amino]methylene]-2,4-dihydro-5-methyl-2-(tetrahydro-1,1-dioxido-3-thienyl)-, (4E)-
SpectraBase Compound ID 8nN6he30mJa
InChI InChI=1S/C15H15ClN4O5S/c1-9-12(7-17-10-2-3-13(16)14(6-10)20(22)23)15(21)19(18-9)11-4-5-26(24,25)8-11/h2-3,6-7,11,17H,4-5,8H2,1H3/b12-7+
InChIKey KPZSZYKMDZOCRT-KPKJPENVSA-N
Mol Weight 398.82 g/mol
Molecular Formula C15H15ClN4O5S
Exact Mass 398.045168 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CDfZQZgwMjp
Name 3H-pyrazol-3-one, 4-[[(4-chloro-3-nitrophenyl)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/C15H15ClN4O5S/c1-9-12(7-17-10-2-3-13(16)14(6-10)20(22)23)15(21)19(18-9)11-4-5-26(24,25)8-11/h2-3,6-7,11,17H,4-5,8H2,1H3/b12-7+
InChIKey KPZSZYKMDZOCRT-KPKJPENVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_11628_3832
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: F18574; Labnumber: ExLab-197044