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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-(3-methylphenyl)-
SpectraBase Compound ID KtbU2WqzoXX
InChI InChI=1S/C26H22F3N3O2S/c1-15-6-4-7-16(12-15)31-22(34)14-35-25-18(13-30)23(24-20(32-25)10-5-11-21(24)33)17-8-2-3-9-19(17)26(27,28)29/h2-4,6-9,12,23,32H,5,10-11,14H2,1H3,(H,31,34)
InChIKey IHWRZIUKECRYJY-UHFFFAOYSA-N
Mol Weight 497.54 g/mol
Molecular Formula C26H22F3N3O2S
Exact Mass 497.138483 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 35djiKI1RDp
Name acetamide, 2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-N-(3-methylphenyl)-
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/C26H22F3N3O2S/c1-15-6-4-7-16(12-15)31-22(34)14-35-25-18(13-30)23(24-20(32-25)10-5-11-21(24)33)17-8-2-3-9-19(17)26(27,28)29/h2-4,6-9,12,23,32H,5,10-11,14H2,1H3,(H,31,34)
InChIKey IHWRZIUKECRYJY-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2222
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/11238518