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acetamide, N-(4-bromophenyl)-2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-6-oxo-2-pyridinyl]thio]-
SpectraBase Compound ID 1bWyERw7HsP
InChI InChI=1S/C21H18BrN3O4S/c1-29-18-8-12(2-7-17(18)26)15-9-19(27)25-21(16(15)10-23)30-11-20(28)24-14-5-3-13(22)4-6-14/h2-8,15,26H,9,11H2,1H3,(H,24,28)(H,25,27)
InChIKey XJZKXFTUJWSPOB-UHFFFAOYSA-N
Mol Weight 488.36 g/mol
Molecular Formula C21H18BrN3O4S
Exact Mass 487.02014 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JqIOMyVc7fY
Name acetamide, N-(4-bromophenyl)-2-[[3-cyano-1,4,5,6-tetrahydro-4-(4-hydroxy-3-methoxyphenyl)-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/C21H18BrN3O4S/c1-29-18-8-12(2-7-17(18)26)15-9-19(27)25-21(16(15)10-23)30-11-20(28)24-14-5-3-13(22)4-6-14/h2-8,15,26H,9,11H2,1H3,(H,24,28)(H,25,27)
InChIKey XJZKXFTUJWSPOB-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2343
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/9253224; Labnumber: KR-0000078
Temperature 303 °C