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(5E)-5-(4-chlorobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID 5LKDQ90xyK7
InChI InChI=1S/C21H16ClN3O2S2/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 KTHPOJVYDNARRD-SFQUDFHCSA-N
Mol Weight 441.95 g/mol
Molecular Formula C21H16ClN3O2S2
Exact Mass 441.037247 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ROL34nvAmp
Name (5E)-5-(4-chlorobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-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/C21H16ClN3O2S2/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 KTHPOJVYDNARRD-SFQUDFHCSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_673
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: 602668EXKam0396; Labnumber: 602668EXKam0396; VK_ID: VK-000674
Synonyms 5-(4-chlorobenzylidene)-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-thioxo-1,3-thiazolidin-4-one
Temperature 308 °C