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benzoic acid, 4-[[4-[(5Z)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxobutyl]amino]-
SpectraBase Compound ID CDWlJuiZQzt
InChI InChI=1S/C21H17BrN2O4S2/c22-15-4-1-3-13(11-15)12-17-19(26)24(21(29)30-17)10-2-5-18(25)23-16-8-6-14(7-9-16)20(27)28/h1,3-4,6-9,11-12H,2,5,10H2,(H,23,25)(H,27,28)/b17-12-
InChIKey AGSCITYXEINWRX-ATVHPVEESA-N
Mol Weight 505.4 g/mol
Molecular Formula C21H17BrN2O4S2
Exact Mass 503.981312 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3f1cU28QzEp
Name benzoic acid, 4-[[4-[(5Z)-5-[(3-bromophenyl)methylene]-4-oxo-2-thioxothiazolidinyl]-1-oxobutyl]amino]-
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/C21H17BrN2O4S2/c22-15-4-1-3-13(11-15)12-17-19(26)24(21(29)30-17)10-2-5-18(25)23-16-8-6-14(7-9-16)20(27)28/h1,3-4,6-9,11-12H,2,5,10H2,(H,23,25)(H,27,28)/b17-12-
InChIKey AGSCITYXEINWRX-ATVHPVEESA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6300
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/10266414