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3-methyl-2-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID 8JUR5gOPrCx
InChI InChI=1S/C14H16N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)7-9-5-4-6-15(9)3/h4-8,11H,1-3H3,(H,18,19)/b10-7-
InChIKey SENGJYWBFIKNOC-YFHOEESVSA-N
Mol Weight 324.41 g/mol
Molecular Formula C14H16N2O3S2
Exact Mass 324.060235 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FOICAdk63tY
Name 3-methyl-2-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic 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/C14H16N2O3S2/c1-8(2)11(13(18)19)16-12(17)10(21-14(16)20)7-9-5-4-6-15(9)3/h4-8,11H,1-3H3,(H,18,19)/b10-7-
InChIKey SENGJYWBFIKNOC-YFHOEESVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20906
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: D51075; Labnumber: GORPS-011-5127; SBI_ID: SBI-020910
Synonyms 3-methyl-2-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature 308 °C