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3-({(2E,5Z)-5-[4-(dimethylamino)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
SpectraBase Compound ID H2UdYzWUHEt
InChI InChI=1S/C20H19N3O3S/c1-22(2)16-9-7-13(8-10-16)11-17-18(24)23(3)20(27-17)21-15-6-4-5-14(12-15)19(25)26/h4-12H,1-3H3,(H,25,26)/b17-11-,21-20+
InChIKey KHLVLBMQIJPTHD-YBLIXAOFSA-N
Mol Weight 381.45 g/mol
Molecular Formula C20H19N3O3S
Exact Mass 381.114713 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6JJAHyTwZqQ
Name 3-({(2E,5Z)-5-[4-(dimethylamino)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic 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/C20H19N3O3S/c1-22(2)16-9-7-13(8-10-16)11-17-18(24)23(3)20(27-17)21-15-6-4-5-14(12-15)19(25)26/h4-12H,1-3H3,(H,25,26)/b17-11-,21-20+
InChIKey KHLVLBMQIJPTHD-YBLIXAOFSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1518
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: C96375; Labnumber: SPDEM2-8263; SBI_ID: SBI-001520
Synonyms 3-({5-[4-(dimethylamino)benzylidene]-3-methyl-4-oxo-1,3-thiazolidin-2-ylidene}amino)benzoic acid
Temperature 308 °C