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3-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
SpectraBase Compound ID BN6CpJV7K5m
InChI InChI=1S/C16H12N2O3S2/c1-17-7-3-6-11(17)9-13-14(19)18(16(22)23-13)12-5-2-4-10(8-12)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey SIPBRPUXOIRLKJ-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 CSw7QARRBzS
Name 3-{(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/c1-17-7-3-6-11(17)9-13-14(19)18(16(22)23-13)12-5-2-4-10(8-12)15(20)21/h2-9H,1H3,(H,20,21)/b13-9-
InChIKey SIPBRPUXOIRLKJ-LCYFTJDESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20932
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: D51102; Labnumber: GORPS-045-5127; SBI_ID: SBI-020936
Synonyms 3-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Temperature 308 °C