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4-{[(2Z,5Z)-5-[3-bromo-4-(dimethylamino)benzylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid
SpectraBase Compound ID BfNaBSLUfaU
InChI InChI=1S/C26H22BrN3O3S/c1-29(2)22-13-10-18(14-21(22)27)15-23-24(31)30(16-17-8-11-19(12-9-17)25(32)33)26(34-23)28-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,32,33)/b23-15-,28-26-
InChIKey IKXFYHFSGBCBOC-YPRVEJFFSA-N
Mol Weight 536.44 g/mol
Molecular Formula C26H22BrN3O3S
Exact Mass 535.056526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2L53wSpcEUa
Name 4-{[(2Z,5Z)-5-[3-bromo-4-(dimethylamino)benzylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}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/C26H22BrN3O3S/c1-29(2)22-13-10-18(14-21(22)27)15-23-24(31)30(16-17-8-11-19(12-9-17)25(32)33)26(34-23)28-20-6-4-3-5-7-20/h3-15H,16H2,1-2H3,(H,32,33)/b23-15-,28-26-
InChIKey IKXFYHFSGBCBOC-YPRVEJFFSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_1483
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: C96322; Labnumber: SPDEM2-2939; SBI_ID: SBI-001485
Synonyms 4-{[5-[3-bromo-4-(dimethylamino)benzylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid
Temperature 318 °C