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3-thiazolidineethanesulfonic acid, 5-[1,2-dihydro-2-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-

View entire compound with spectra: 1 NMR

3-thiazolidineethanesulfonic acid, 5-[1,2-dihydro-2-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-
SpectraBase Compound ID B7DuYR1jiCk
InChI InChI=1S/C22H16F3N3O6S3/c23-22(24,25)12-4-3-5-13(10-12)26-16(29)11-28-15-7-2-1-6-14(15)17(19(28)30)18-20(31)27(21(35)36-18)8-9-37(32,33)34/h1-7,10H,8-9,11H2,(H,26,29)(H,32,33,34)/b18-17-
InChIKey WAQMHVNONNSMQL-ZCXUNETKSA-N
Mol Weight 571.56 g/mol
Molecular Formula C22H16F3N3O6S3
Exact Mass 571.015333 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kSnv1G70uI
Name 3-thiazolidineethanesulfonic acid, 5-[1,2-dihydro-2-oxo-1-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]-3H-indol-3-ylidene]-4-oxo-2-thioxo-, (5Z)-
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/C22H16F3N3O6S3/c23-22(24,25)12-4-3-5-13(10-12)26-16(29)11-28-15-7-2-1-6-14(15)17(19(28)30)18-20(31)27(21(35)36-18)8-9-37(32,33)34/h1-7,10H,8-9,11H2,(H,26,29)(H,32,33,34)/b18-17-
InChIKey WAQMHVNONNSMQL-ZCXUNETKSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2758
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/11248279