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4-bromo-N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID IShoRztCnhl
InChI InChI=1S/C16H12BrN3O2S2/c1-19-8-2-3-12(19)9-13-15(22)20(16(23)24-13)18-14(21)10-4-6-11(17)7-5-10/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey APKAIQCYLODIEF-LCYFTJDESA-N
Mol Weight 422.32 g/mol
Molecular Formula C16H12BrN3O2S2
Exact Mass 420.955432 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HxqSRY0EORN
Name 4-bromo-N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
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/C16H12BrN3O2S2/c1-19-8-2-3-12(19)9-13-15(22)20(16(23)24-13)18-14(21)10-4-6-11(17)7-5-10/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey APKAIQCYLODIEF-LCYFTJDESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20954
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: D51125; Labnumber: GORPS-074-5127; SBI_ID: SBI-020958
Synonyms 4-bromo-N-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Temperature 308 °C