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2-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
SpectraBase Compound ID 9CP6XKkzJ2v
InChI InChI=1S/C14H14N2O5S2/c1-15-6-2-3-8(15)7-10-12(19)16(14(22)23-10)9(13(20)21)4-5-11(17)18/h2-3,6-7,9H,4-5H2,1H3,(H,17,18)(H,20,21)/b10-7-
InChIKey GXXDZFIPOWKWKL-YFHOEESVSA-N
Mol Weight 354.4 g/mol
Molecular Formula C14H14N2O5S2
Exact Mass 354.034414 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6wh6Y9VwehS
Name 2-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic 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/C14H14N2O5S2/c1-15-6-2-3-8(15)7-10-12(19)16(14(22)23-10)9(13(20)21)4-5-11(17)18/h2-3,6-7,9H,4-5H2,1H3,(H,17,18)(H,20,21)/b10-7-
InChIKey GXXDZFIPOWKWKL-YFHOEESVSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20909
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: D51078; Labnumber: GORPS-013-5127; SBI_ID: SBI-020913
Synonyms 2-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioic acid
Temperature 308 °C