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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-(2,6-dimethylphenyl)-
SpectraBase Compound ID GNjMuN8BS81
InChI InChI=1S/C27H24F3N3O2S/c1-15-7-5-8-16(2)25(15)33-22(35)14-36-26-18(13-31)23(24-20(32-26)11-6-12-21(24)34)17-9-3-4-10-19(17)27(28,29)30/h3-5,7-10,23,32H,6,11-12,14H2,1-2H3,(H,33,35)
InChIKey ATWZAHIWDPNTJG-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 1kxMI3VJnxG
Name acetamide, 2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-N-(2,6-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/c1-15-7-5-8-16(2)25(15)33-22(35)14-36-26-18(13-31)23(24-20(32-26)11-6-12-21(24)34)17-9-3-4-10-19(17)27(28,29)30/h3-5,7-10,23,32H,6,11-12,14H2,1-2H3,(H,33,35)
InChIKey ATWZAHIWDPNTJG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2227
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/11238526