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

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acetamide, N-(3-chloro-2-methylphenyl)-2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-
SpectraBase Compound ID BAZV27wYRbO
InChI InChI=1S/C26H21ClF3N3O2S/c1-14-18(27)8-4-9-19(14)32-22(35)13-36-25-16(12-31)23(24-20(33-25)10-5-11-21(24)34)15-6-2-3-7-17(15)26(28,29)30/h2-4,6-9,23,33H,5,10-11,13H2,1H3,(H,32,35)
InChIKey OJYNXWQQHRXJEQ-UHFFFAOYSA-N
Mol Weight 531.98 g/mol
Molecular Formula C26H21ClF3N3O2S
Exact Mass 531.09951 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7BPCW18TNh8
Name acetamide, N-(3-chloro-2-methylphenyl)-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/C26H21ClF3N3O2S/c1-14-18(27)8-4-9-19(14)32-22(35)13-36-25-16(12-31)23(24-20(33-25)10-5-11-21(24)34)15-6-2-3-7-17(15)26(28,29)30/h2-4,6-9,23,33H,5,10-11,13H2,1H3,(H,32,35)
InChIKey OJYNXWQQHRXJEQ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2399
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/11238742