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(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
SpectraBase Compound ID KwUl0pMK26i
InChI InChI=1S/C31H29N3O3S2/c1-20-10-11-21(2)25(16-20)29-23(19-34(32-29)24-8-6-5-7-9-24)18-28-30(35)33(31(38)39-28)15-14-22-12-13-26(36-3)27(17-22)37-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-
InChIKey UOIPOYQLYBRVBP-VEILYXNESA-N
Mol Weight 555.71 g/mol
Molecular Formula C31H29N3O3S2
Exact Mass 555.165034 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CBxcslFQ96G
Name (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(2,5-dimethylphenyl)-1-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/C31H29N3O3S2/c1-20-10-11-21(2)25(16-20)29-23(19-34(32-29)24-8-6-5-7-9-24)18-28-30(35)33(31(38)39-28)15-14-22-12-13-26(36-3)27(17-22)37-4/h5-13,16-19H,14-15H2,1-4H3/b28-18-
InChIKey UOIPOYQLYBRVBP-VEILYXNESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6335
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: 123213; Labnumber: EX00116392; VK_ID: VK-006338
Synonyms 3-[2-(3,4-dimethoxyphenyl)ethyl]-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-2-thioxo-1,3-thiazolidin-4-one
Temperature 318 °C