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2-bromo-N-{(5Z)-5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
SpectraBase Compound ID 4TfRBhtdp78
InChI InChI=1S/C16H12BrN3O2S2/c1-19-8-4-5-10(19)9-13-15(22)20(16(23)24-13)18-14(21)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey MEQUVIBWCCIZSW-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 I1xqMUE8jPc
Name 2-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/c1-19-8-4-5-10(19)9-13-15(22)20(16(23)24-13)18-14(21)11-6-2-3-7-12(11)17/h2-9H,1H3,(H,18,21)/b13-9-
InChIKey MEQUVIBWCCIZSW-LCYFTJDESA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20953
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: D51124; Labnumber: GORPS-073-5127; SBI_ID: SBI-020957
Synonyms 2-bromo-N-{5-[(1-methyl-1H-pyrrol-2-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Temperature 308 °C