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4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
SpectraBase Compound ID 9jetMWn9NyC
InChI InChI=1S/C21H17ClN2O4S2/c22-16-5-2-1-4-14(16)12-17-19(26)24(21(29)30-17)11-3-6-18(25)23-15-9-7-13(8-10-15)20(27)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,25)(H,27,28)/b17-12-
InChIKey JUXWHIAJTMLJPO-ATVHPVEESA-N
Mol Weight 460.95 g/mol
Molecular Formula C21H17ClN2O4S2
Exact Mass 460.031827 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5qfHoI7vzg6
Name 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic 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/C21H17ClN2O4S2/c22-16-5-2-1-4-14(16)12-17-19(26)24(21(29)30-17)11-3-6-18(25)23-15-9-7-13(8-10-15)20(27)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,25)(H,27,28)/b17-12-
InChIKey JUXWHIAJTMLJPO-ATVHPVEESA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9728
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: 128435; Labnumber: EX00110778; VK_ID: VK-009732
Synonyms 4-({4-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoic acid
Temperature 318 °C