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3-thiazolidinepropanamide, N-(4-acetylphenyl)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-, (5E)-
SpectraBase Compound ID DQQ6828MWBz
InChI InChI=1S/C21H17BrN2O3S2/c1-13(25)15-5-7-17(8-6-15)23-19(26)9-10-24-20(27)18(29-21(24)28)12-14-3-2-4-16(22)11-14/h2-8,11-12H,9-10H2,1H3,(H,23,26)/b18-12+
InChIKey YPXLNDARXNLDDP-LDADJPATSA-N
Mol Weight 489.4 g/mol
Molecular Formula C21H17BrN2O3S2
Exact Mass 487.986398 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jn0O5d5exKp
Name 3-thiazolidinepropanamide, N-(4-acetylphenyl)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxo-, (5E)-
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/C21H17BrN2O3S2/c1-13(25)15-5-7-17(8-6-15)23-19(26)9-10-24-20(27)18(29-21(24)28)12-14-3-2-4-16(22)11-14/h2-8,11-12H,9-10H2,1H3,(H,23,26)/b18-12+
InChIKey YPXLNDARXNLDDP-LDADJPATSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7702
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: NMR/10329603