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benzoic acid, 2-[[4-[(5Z)-5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxobutyl]amino]-
SpectraBase Compound ID B9dUGIurmNc
InChI InChI=1S/C21H17FN2O4S2/c22-14-9-7-13(8-10-14)12-17-19(26)24(21(29)30-17)11-3-6-18(25)23-16-5-2-1-4-15(16)20(27)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,25)(H,27,28)/b17-12-
InChIKey KTOBBCXQKIATEY-ATVHPVEESA-N
Mol Weight 444.5 g/mol
Molecular Formula C21H17FN2O4S2
Exact Mass 444.061378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D6wIJEV87Sz
Name benzoic acid, 2-[[4-[(5Z)-5-[(4-fluorophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxobutyl]amino]-
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/C21H17FN2O4S2/c22-14-9-7-13(8-10-14)12-17-19(26)24(21(29)30-17)11-3-6-18(25)23-16-5-2-1-4-15(16)20(27)28/h1-2,4-5,7-10,12H,3,6,11H2,(H,23,25)(H,27,28)/b17-12-
InChIKey KTOBBCXQKIATEY-ATVHPVEESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_2432
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: NMR/11269061