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4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid
SpectraBase Compound ID C7AAgJjUNEA
InChI InChI=1S/C21H13ClN2O5S2/c22-13-5-1-11(2-6-13)9-16-19(27)24(21(30)31-16)15-10-17(25)23(18(15)26)14-7-3-12(4-8-14)20(28)29/h1-9,15H,10H2,(H,28,29)/b16-9-
InChIKey SRMDTIIGNZBGNS-SXGWCWSVSA-N
Mol Weight 472.92 g/mol
Molecular Formula C21H13ClN2O5S2
Exact Mass 471.995442 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KNqhTwUFfyN
Name 4-{3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxo-1-pyrrolidinyl}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/C21H13ClN2O5S2/c22-13-5-1-11(2-6-13)9-16-19(27)24(21(30)31-16)15-10-17(25)23(18(15)26)14-7-3-12(4-8-14)20(28)29/h1-9,15H,10H2,(H,28,29)/b16-9-
InChIKey SRMDTIIGNZBGNS-SXGWCWSVSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13274
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: D85008; Labnumber: ULES1-0783; SBI_ID: SBI-013277
Synonyms 4-{3-[5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxo-1-pyrrolidinyl}benzoic acid
Temperature 315 °C