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acetamide, 2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-N-(2,4-dimethylphenyl)-

View entire compound with spectra: 1 NMR

acetamide, 2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-N-(2,4-dimethylphenyl)-
SpectraBase Compound ID 4VwJbr8x8w2
InChI InChI=1S/C27H24F3N3O2S/c1-15-10-11-20(16(2)12-15)32-23(35)14-36-26-18(13-31)24(25-21(33-26)8-5-9-22(25)34)17-6-3-4-7-19(17)27(28,29)30/h3-4,6-7,10-12,24,33H,5,8-9,14H2,1-2H3,(H,32,35)
InChIKey JAMNSFYADHHXNJ-UHFFFAOYSA-N
Mol Weight 511.56 g/mol
Molecular Formula C27H24F3N3O2S
Exact Mass 511.154133 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DDjb53UxtHG
Name acetamide, 2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-N-(2,4-dimethylphenyl)-
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/C27H24F3N3O2S/c1-15-10-11-20(16(2)12-15)32-23(35)14-36-26-18(13-31)24(25-21(33-26)8-5-9-22(25)34)17-6-3-4-7-19(17)27(28,29)30/h3-4,6-7,10-12,24,33H,5,8-9,14H2,1-2H3,(H,32,35)
InChIKey JAMNSFYADHHXNJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2235
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/11238536