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2-{(5Z)-5-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid

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2-{(5Z)-5-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
SpectraBase Compound ID 3i4lP6htpWx
InChI InChI=1S/C21H18N2O5S3/c1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)17(19(23)24)18-20(25)22(21(29)30-18)10-11-31(26,27)28/h2-9H,10-12H2,1H3,(H,26,27,28)/b18-17-
InChIKey OAVYFGRRJDNNBG-ZCXUNETKSA-N
Mol Weight 474.56 g/mol
Molecular Formula C21H18N2O5S3
Exact Mass 474.037785 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID J1KqCubw9GM
Name 2-{(5Z)-5-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C21H18N2O5S3/c1-13-6-8-14(9-7-13)12-23-16-5-3-2-4-15(16)17(19(23)24)18-20(25)22(21(29)30-18)10-11-31(26,27)28/h2-9H,10-12H2,1H3,(H,26,27,28)/b18-17-
InChIKey OAVYFGRRJDNNBG-ZCXUNETKSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_6403
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: 123298; Labnumber: EX00117185; VK_ID: VK-006406
Synonyms 2-{5-[1-(4-methylbenzyl)-2-oxo-1,2-dihydro-3H-indol-3-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}ethanesulfonic acid
Temperature 315 °C