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acetamide, N-(5-chloro-2-methylphenyl)-2-[[3-cyano-4-(2-ethoxyphenyl)-1,4,5,6,7,8-hexahydro-5-oxo-2-quinolinyl]thio]-
SpectraBase Compound ID IhXMc2duAuC
InChI InChI=1S/C27H26ClN3O3S/c1-3-34-23-10-5-4-7-18(23)25-19(14-29)27(31-20-8-6-9-22(32)26(20)25)35-15-24(33)30-21-13-17(28)12-11-16(21)2/h4-5,7,10-13,25,31H,3,6,8-9,15H2,1-2H3,(H,30,33)
InChIKey PWRWWCACFPWLCV-UHFFFAOYSA-N
Mol Weight 508.04 g/mol
Molecular Formula C27H26ClN3O3S
Exact Mass 507.138341 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Edkw6jCrTVl
Name acetamide, N-(5-chloro-2-methylphenyl)-2-[[3-cyano-4-(2-ethoxyphenyl)-1,4,5,6,7,8-hexahydro-5-oxo-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/C27H26ClN3O3S/c1-3-34-23-10-5-4-7-18(23)25-19(14-29)27(31-20-8-6-9-22(32)26(20)25)35-15-24(33)30-21-13-17(28)12-11-16(21)2/h4-5,7,10-13,25,31H,3,6,8-9,15H2,1-2H3,(H,30,33)
InChIKey PWRWWCACFPWLCV-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_2401
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/11238746