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4-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
SpectraBase Compound ID ClKDncqFfJq
InChI InChI=1S/C16H12N2O3S2/c1-17-8-2-3-12(17)9-13-14(19)18(16(22)23-13)11-6-4-10(5-7-11)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey OIALTMSAJCBCKD-LCYFTJDESA-N
Mol Weight 344.4 g/mol
Molecular Formula C16H12N2O3S2
Exact Mass 344.028935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IOQUXKKYIgb
Name 4-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}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/C16H12N2O3S2/c1-17-8-2-3-12(17)9-13-14(19)18(16(22)23-13)11-6-4-10(5-7-11)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey OIALTMSAJCBCKD-LCYFTJDESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20933
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: D51103; Labnumber: GORPS-046-5127; SBI_ID: SBI-020937
Synonyms 4-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Temperature 308 °C