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acetamide, N-(3-chlorophenyl)-2-[[3-cyano-1,4,5,6,7,8-hexahydro-5-oxo-4-[2-(trifluoromethyl)phenyl]-2-quinolinyl]thio]-
SpectraBase Compound ID LGSAHsCWCtz
InChI InChI=1S/C25H19ClF3N3O2S/c26-14-5-3-6-15(11-14)31-21(34)13-35-24-17(12-30)22(23-19(32-24)9-4-10-20(23)33)16-7-1-2-8-18(16)25(27,28)29/h1-3,5-8,11,22,32H,4,9-10,13H2,(H,31,34)
InChIKey ALAJJKAABXPETN-UHFFFAOYSA-N
Mol Weight 517.95 g/mol
Molecular Formula C25H19ClF3N3O2S
Exact Mass 517.08386 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3I99XsFzcmd
Name acetamide, N-(3-chlorophenyl)-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/C25H19ClF3N3O2S/c26-14-5-3-6-15(11-14)31-21(34)13-35-24-17(12-30)22(23-19(32-24)9-4-10-20(23)33)16-7-1-2-8-18(16)25(27,28)29/h1-3,5-8,11,22,32H,4,9-10,13H2,(H,31,34)
InChIKey ALAJJKAABXPETN-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2400
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/11238744