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acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(4-bromophenyl)-
SpectraBase Compound ID 5EKvLcdKWc7
InChI InChI=1S/C21H16BrN3O4S/c22-13-2-4-14(5-3-13)24-20(27)10-30-21-16(9-23)15(8-19(26)25-21)12-1-6-17-18(7-12)29-11-28-17/h1-7,15H,8,10-11H2,(H,24,27)(H,25,26)
InChIKey GTKFAGYILQKZRA-UHFFFAOYSA-N
Mol Weight 486.34 g/mol
Molecular Formula C21H16BrN3O4S
Exact Mass 485.00449 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ffz71n9Lp2
Name acetamide, 2-[[4-(1,3-benzodioxol-5-yl)-3-cyano-1,4,5,6-tetrahydro-6-oxo-2-pyridinyl]thio]-N-(4-bromophenyl)-
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/C21H16BrN3O4S/c22-13-2-4-14(5-3-13)24-20(27)10-30-21-16(9-23)15(8-19(26)25-21)12-1-6-17-18(7-12)29-11-28-17/h1-7,15H,8,10-11H2,(H,24,27)(H,25,26)
InChIKey GTKFAGYILQKZRA-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2294
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/11238611