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acetamide, N-(4-bromophenyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-
SpectraBase Compound ID BMjf73H0Olf
InChI InChI=1S/C22H20BrN3O4S/c1-29-18-8-3-13(9-19(18)30-2)16-10-20(27)26-22(17(16)11-24)31-12-21(28)25-15-6-4-14(23)5-7-15/h3-9,16H,10,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKey KIBRGLOSZOJLRX-UHFFFAOYSA-N
Mol Weight 502.38 g/mol
Molecular Formula C22H20BrN3O4S
Exact Mass 501.03579 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4MEJKnYasB1
Name acetamide, N-(4-bromophenyl)-2-[[3-cyano-4-(3,4-dimethoxyphenyl)-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-
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/C22H20BrN3O4S/c1-29-18-8-3-13(9-19(18)30-2)16-10-20(27)26-22(17(16)11-24)31-12-21(28)25-15-6-4-14(23)5-7-15/h3-9,16H,10,12H2,1-2H3,(H,25,28)(H,26,27)
InChIKey KIBRGLOSZOJLRX-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2141
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/11238421