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6-{(5Z)-4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}hexanoic acid
SpectraBase Compound ID FxOFbI5jh81
InChI InChI=1S/C17H16F3NO3S2/c18-17(19,20)12-7-5-11(6-8-12)10-13-15(24)21(16(25)26-13)9-3-1-2-4-14(22)23/h5-8,10H,1-4,9H2,(H,22,23)/b13-10-
InChIKey LRMMXWZENHBDNJ-RAXLEYEMSA-N
Mol Weight 403.43 g/mol
Molecular Formula C17H16F3NO3S2
Exact Mass 403.05237 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID n0vMEI25TH
Name 6-{(5Z)-4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-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/C17H16F3NO3S2/c18-17(19,20)12-7-5-11(6-8-12)10-13-15(24)21(16(25)26-13)9-3-1-2-4-14(22)23/h5-8,10H,1-4,9H2,(H,22,23)/b13-10-
InChIKey LRMMXWZENHBDNJ-RAXLEYEMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10991
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: E04136; Labnumber: EX00111322; SBI_ID: SBI-010994
Synonyms 6-{4-oxo-2-thioxo-5-[4-(trifluoromethyl)benzylidene]-1,3-thiazolidin-3-yl}hexanoic acid
Temperature 308 °C