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acetamide, N-(4-bromophenyl)-2-[(3-cyano-1,4,5,6,7,8-hexahydro-4,7,7-trimethyl-5-oxo-2-quinolinyl)thio]-
SpectraBase Compound ID 6CZ66wouNE6
InChI InChI=1S/C21H22BrN3O2S/c1-12-15(10-23)20(25-16-8-21(2,3)9-17(26)19(12)16)28-11-18(27)24-14-6-4-13(22)5-7-14/h4-7,12,25H,8-9,11H2,1-3H3,(H,24,27)
InChIKey ZWPFZISKQUHBGI-UHFFFAOYSA-N
Mol Weight 460.39 g/mol
Molecular Formula C21H22BrN3O2S
Exact Mass 459.061611 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7jU7UBKcG40
Name acetamide, N-(4-bromophenyl)-2-[(3-cyano-1,4,5,6,7,8-hexahydro-4,7,7-trimethyl-5-oxo-2-quinolinyl)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/C21H22BrN3O2S/c1-12-15(10-23)20(25-16-8-21(2,3)9-17(26)19(12)16)28-11-18(27)24-14-6-4-13(22)5-7-14/h4-7,12,25H,8-9,11H2,1-3H3,(H,24,27)
InChIKey ZWPFZISKQUHBGI-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2147
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/11238428