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4-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
SpectraBase Compound ID DyT4hPiNRan
InChI InChI=1S/C20H14N2O3S2/c1-21-11-13(15-4-2-3-5-16(15)21)10-17-18(23)22(20(26)27-17)14-8-6-12(7-9-14)19(24)25/h2-11H,1H3,(H,24,25)/b17-10-
InChIKey SEQHVINKFHEGJF-YVLHZVERSA-N
Mol Weight 394.46 g/mol
Molecular Formula C20H14N2O3S2
Exact Mass 394.044585 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LABNNMQCgky
Name 4-{(5Z)-5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic 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/C20H14N2O3S2/c1-21-11-13(15-4-2-3-5-16(15)21)10-17-18(23)22(20(26)27-17)14-8-6-12(7-9-14)19(24)25/h2-11H,1H3,(H,24,25)/b17-10-
InChIKey SEQHVINKFHEGJF-YVLHZVERSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_23766
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: D43291; Labnumber: GORPS-046-4937; SBI_ID: SBI-023770
Synonyms 4-{5-[(1-methyl-1H-indol-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzoic acid
Temperature 318 °C