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(5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID IJhPdTggxOl
InChI InChI=1S/C21H16FN3O2S2/c1-13-18(20(27)25(23(13)2)16-6-4-3-5-7-16)24-19(26)17(29-21(24)28)12-14-8-10-15(22)11-9-14/h3-12H,1-2H3/b17-12+
InChIKey KPTBMWMHJAXFIB-SFQUDFHCSA-N
Mol Weight 425.5 g/mol
Molecular Formula C21H16FN3O2S2
Exact Mass 425.066797 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CeuqFNo6iOG
Name (5E)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
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/C21H16FN3O2S2/c1-13-18(20(27)25(23(13)2)16-6-4-3-5-7-16)24-19(26)17(29-21(24)28)12-14-8-10-15(22)11-9-14/h3-12H,1-2H3/b17-12+
InChIKey KPTBMWMHJAXFIB-SFQUDFHCSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_592
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: 602663EXKam0387; Labnumber: 602663EXKam0387; VK_ID: VK-000593
Synonyms 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-5-(4-fluorobenzylidene)-2-thioxo-1,3-thiazolidin-4-one
Temperature 315 °C