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3-thiazolidinebutanoic acid, 5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID 33jVR0gyJif
InChI InChI=1S/C24H21N3O3S2/c1-16-9-11-17(12-10-16)22-18(15-27(25-22)19-6-3-2-4-7-19)14-20-23(30)26(24(31)32-20)13-5-8-21(28)29/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,28,29)/b20-14-
InChIKey SOGLXZHVDWMTGF-ZHZULCJRSA-N
Mol Weight 463.57 g/mol
Molecular Formula C24H21N3O3S2
Exact Mass 463.102434 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5M6EBMzSYtn
Name 3-thiazolidinebutanoic acid, 5-[[3-(4-methylphenyl)-1-phenyl-1H-pyrazol-4-yl]methylene]-4-oxo-2-thioxo-, (5Z)-
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/C24H21N3O3S2/c1-16-9-11-17(12-10-16)22-18(15-27(25-22)19-6-3-2-4-7-19)14-20-23(30)26(24(31)32-20)13-5-8-21(28)29/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,28,29)/b20-14-
InChIKey SOGLXZHVDWMTGF-ZHZULCJRSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_1834
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: NMR/11268204