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(5Z)-3-allyl-5-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID I2tN0Dwo45L
InChI InChI=1S/C23H18ClN3OS2/c1-2-12-27-22(28)20(30-23(27)29)13-18-15-26(14-16-8-10-19(24)11-9-16)25-21(18)17-6-4-3-5-7-17/h2-11,13,15H,1,12,14H2/b20-13-
InChIKey OWKIKUVKPFNROB-MOSHPQCFSA-N
Mol Weight 451.99 g/mol
Molecular Formula C23H18ClN3OS2
Exact Mass 451.057982 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B1h6TViNQzA
Name (5Z)-3-allyl-5-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}-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/C23H18ClN3OS2/c1-2-12-27-22(28)20(30-23(27)29)13-18-15-26(14-16-8-10-19(24)11-9-16)25-21(18)17-6-4-3-5-7-17/h2-11,13,15H,1,12,14H2/b20-13-
InChIKey OWKIKUVKPFNROB-MOSHPQCFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_7138
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: UZI/1268841; Labnumber: COL4246; UZI_ID: UZI-007140
Synonyms 3-allyl-5-{[1-(4-chlorobenzyl)-3-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
Temperature 318 °C