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acetamide, N-(3-acetylphenyl)-2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-
SpectraBase Compound ID LFINUmKQfpM
InChI InChI=1S/C27H22F3N3O3S/c1-15(34)16-6-4-7-17(12-16)32-23(36)14-37-26-19(13-31)24(25-21(33-26)10-5-11-22(25)35)18-8-2-3-9-20(18)27(28,29)30/h2-4,6-9,12,24,33H,5,10-11,14H2,1H3,(H,32,36)
InChIKey KECPTWVVBBPCFR-UHFFFAOYSA-N
Mol Weight 525.55 g/mol
Molecular Formula C27H22F3N3O3S
Exact Mass 525.133397 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2ZG59ZKKg9G
Name acetamide, N-(3-acetylphenyl)-2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-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/C27H22F3N3O3S/c1-15(34)16-6-4-7-17(12-16)32-23(36)14-37-26-19(13-31)24(25-21(33-26)10-5-11-22(25)35)18-8-2-3-9-20(18)27(28,29)30/h2-4,6-9,12,24,33H,5,10-11,14H2,1H3,(H,32,36)
InChIKey KECPTWVVBBPCFR-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2237
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/11238538