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4-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID 3MqOBOedtM7
InChI InChI=1S/C13H14N2O3S2/c1-14-6-2-4-9(14)8-10-12(18)15(13(19)20-10)7-3-5-11(16)17/h2,4,6,8H,3,5,7H2,1H3,(H,16,17)/b10-8-
InChIKey BCHGGUQQEBAARH-NTMALXAHSA-N
Mol Weight 310.39 g/mol
Molecular Formula C13H14N2O3S2
Exact Mass 310.044585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bbzgw8dzX5N
Name 4-{(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/C13H14N2O3S2/c1-14-6-2-4-9(14)8-10-12(18)15(13(19)20-10)7-3-5-11(16)17/h2,4,6,8H,3,5,7H2,1H3,(H,16,17)/b10-8-
InChIKey BCHGGUQQEBAARH-NTMALXAHSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20901
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: D51069; Labnumber: GORPS-003-5127; SBI_ID: SBI-020905
Synonyms 4-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Temperature 318 °C