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4-{(5Z)-4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}butanoic acid
SpectraBase Compound ID 2A97RuDGpuD
InChI InChI=1S/C15H12F3NO3S2/c16-15(17,18)10-5-3-9(4-6-10)8-11-13(22)19(14(23)24-11)7-1-2-12(20)21/h3-6,8H,1-2,7H2,(H,20,21)/b11-8-
InChIKey QGVJPYKOIXGERW-FLIBITNWSA-N
Mol Weight 375.38 g/mol
Molecular Formula C15H12F3NO3S2
Exact Mass 375.02107 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3XPrtYhnnRi
Name 4-{(5Z)-4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-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/C15H12F3NO3S2/c16-15(17,18)10-5-3-9(4-6-10)8-11-13(22)19(14(23)24-11)7-1-2-12(20)21/h3-6,8H,1-2,7H2,(H,20,21)/b11-8-
InChIKey QGVJPYKOIXGERW-FLIBITNWSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10989
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: E04134; Labnumber: EX00111279; SBI_ID: SBI-010992
Synonyms 4-{4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}butanoic acid
Temperature 308 °C