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3-pyridinecarboxamide, 5-cyano-6-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-

View entire compound with spectra: 1 NMR

3-pyridinecarboxamide, 5-cyano-6-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-
SpectraBase Compound ID CAi39wSYZjx
InChI InChI=1S/C33H33N3O2S2/c1-21-9-6-7-12-27(21)36-32(38)30-22(2)35-33(26(19-34)31(30)29-13-8-18-39-29)40-20-28(37)25-16-14-24(15-17-25)23-10-4-3-5-11-23/h6-9,12-18,23,31,35H,3-5,10-11,20H2,1-2H3,(H,36,38)
InChIKey OSBXETDSGHMSPZ-UHFFFAOYSA-N
Mol Weight 567.8 g/mol
Molecular Formula C33H33N3O2S2
Exact Mass 567.20142 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FTTfJTQmmBi
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-
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/C33H33N3O2S2/c1-21-9-6-7-12-27(21)36-32(38)30-22(2)35-33(26(19-34)31(30)29-13-8-18-39-29)40-20-28(37)25-16-14-24(15-17-25)23-10-4-3-5-11-23/h6-9,12-18,23,31,35H,3-5,10-11,20H2,1-2H3,(H,36,38)
InChIKey OSBXETDSGHMSPZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_CB_8313_2349
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/9253236; Labnumber: KR-0000091
Temperature 303 °C