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butyl 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
SpectraBase Compound ID 4QK7VBnWva9
InChI InChI=1S/C25H25ClN2O4S2/c1-2-3-15-32-24(31)17-10-12-19(13-11-17)27-22(29)9-6-14-28-23(30)21(34-25(28)33)16-18-7-4-5-8-20(18)26/h4-5,7-8,10-13,16H,2-3,6,9,14-15H2,1H3,(H,27,29)/b21-16-
InChIKey VUHPBAGYEYEWNW-PGMHBOJBSA-N
Mol Weight 517.06 g/mol
Molecular Formula C25H25ClN2O4S2
Exact Mass 516.094427 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jmnv9QCpS9z
Name butyl 4-({4-[(5Z)-5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
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/C25H25ClN2O4S2/c1-2-3-15-32-24(31)17-10-12-19(13-11-17)27-22(29)9-6-14-28-23(30)21(34-25(28)33)16-18-7-4-5-8-20(18)26/h4-5,7-8,10-13,16H,2-3,6,9,14-15H2,1H3,(H,27,29)/b21-16-
InChIKey VUHPBAGYEYEWNW-PGMHBOJBSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_9730
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: 128437; Labnumber: EX00110780; VK_ID: VK-009734
Synonyms butyl 4-({4-[5-(2-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoyl}amino)benzoate
Temperature 318 °C