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4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
SpectraBase Compound ID 9zU77yL1sEH
InChI InChI=1S/C25H23ClN4O3S2/c1-16-22(24(33)30(28(16)2)18-10-4-3-5-11-18)27-21(31)13-8-14-29-23(32)20(35-25(29)34)15-17-9-6-7-12-19(17)26/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,27,31)/b20-15-
InChIKey TXUGTSLIXSTQDW-HKWRFOASSA-N
Mol Weight 527.06 g/mol
Molecular Formula C25H23ClN4O3S2
Exact Mass 526.090011 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7S8BAIAKsSr
Name 4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
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/C25H23ClN4O3S2/c1-16-22(24(33)30(28(16)2)18-10-4-3-5-11-18)27-21(31)13-8-14-29-23(32)20(35-25(29)34)15-17-9-6-7-12-19(17)26/h3-7,9-12,15H,8,13-14H2,1-2H3,(H,27,31)/b20-15-
InChIKey TXUGTSLIXSTQDW-HKWRFOASSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9748
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: 128463; Labnumber: EX00110817; VK_ID: VK-009752
Synonyms 4-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)butanamide
Temperature 318 °C