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6-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
SpectraBase Compound ID 5TF2f8tyuDC
InChI InChI=1S/C15H18N2O3S2/c1-16-8-5-6-11(16)10-12-14(20)17(15(21)22-12)9-4-2-3-7-13(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/b12-10-
InChIKey QBLRLFRHPFDFBZ-BENRWUELSA-N
Mol Weight 338.44 g/mol
Molecular Formula C15H18N2O3S2
Exact Mass 338.075885 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8FRD0mzV5zf
Name 6-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic 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/C15H18N2O3S2/c1-16-8-5-6-11(16)10-12-14(20)17(15(21)22-12)9-4-2-3-7-13(18)19/h5-6,8,10H,2-4,7,9H2,1H3,(H,18,19)/b12-10-
InChIKey QBLRLFRHPFDFBZ-BENRWUELSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20902
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: D51070; Labnumber: GORPS-004-5127; SBI_ID: SBI-020906
Synonyms 6-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}hexanoic acid
Temperature 318 °C