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4-((5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
SpectraBase Compound ID 8BTqw4JmUMh
InChI InChI=1S/C25H23N3O3S2/c1-16-10-11-17(2)20(13-16)23-18(15-28(26-23)19-7-4-3-5-8-19)14-21-24(31)27(25(32)33-21)12-6-9-22(29)30/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,29,30)/b21-14-
InChIKey LOUOQUAZBIJOHN-STZFKDTASA-N
Mol Weight 477.6 g/mol
Molecular Formula C25H23N3O3S2
Exact Mass 477.118084 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AlQRSNG5nX2
Name 4-((5Z)-5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
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/C25H23N3O3S2/c1-16-10-11-17(2)20(13-16)23-18(15-28(26-23)19-7-4-3-5-8-19)14-21-24(31)27(25(32)33-21)12-6-9-22(29)30/h3-5,7-8,10-11,13-15H,6,9,12H2,1-2H3,(H,29,30)/b21-14-
InChIKey LOUOQUAZBIJOHN-STZFKDTASA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6329
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: 123207; Labnumber: EX00116386; VK_ID: VK-006332
Synonyms 4-(5-{[3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)butanoic acid
Temperature 318 °C