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3-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
SpectraBase Compound ID L9hYaDAgjDU
InChI InChI=1S/C12H12N2O3S2/c1-13-5-2-3-8(13)7-9-11(17)14(12(18)19-9)6-4-10(15)16/h2-3,5,7H,4,6H2,1H3,(H,15,16)/b9-7-
InChIKey FATMRIGJLHIIMA-CLFYSBASSA-N
Mol Weight 296.36 g/mol
Molecular Formula C12H12N2O3S2
Exact Mass 296.028935 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3z3caWFr9TU
Name 3-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic 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/C12H12N2O3S2/c1-13-5-2-3-8(13)7-9-11(17)14(12(18)19-9)6-4-10(15)16/h2-3,5,7H,4,6H2,1H3,(H,15,16)/b9-7-
InChIKey FATMRIGJLHIIMA-CLFYSBASSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23708
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: D43233; Labnumber: GORPS-002-5127; SBI_ID: SBI-023712
Synonyms 3-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Temperature 318 °C