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

View entire compound with spectra: 1 NMR

3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-4-phenyl-
SpectraBase Compound ID H5mZ90OyWsw
InChI InChI=1S/C29H25ClN4O2S/c1-18-8-6-7-11-24(18)34-25(35)17-37-29-23(16-31)27(20-9-4-3-5-10-20)26(19(2)32-29)28(36)33-22-14-12-21(30)13-15-22/h3-15,27,32H,17H2,1-2H3,(H,33,36)(H,34,35)
InChIKey BSRYWGOBWCWCRU-UHFFFAOYSA-N
Mol Weight 529.06 g/mol
Molecular Formula C29H25ClN4O2S
Exact Mass 528.138675 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H3892S0gJd4
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(2-methylphenyl)amino]-2-oxoethyl]thio]-4-phenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.138674933 u
Formula C29H25ClN4O2S
InChI InChI=1S/C29H25ClN4O2S/c1-18-8-6-7-11-24(18)34-25(35)17-37-29-23(16-31)27(20-9-4-3-5-10-20)26(19(2)32-29)28(36)33-22-14-12-21(30)13-15-22/h3-15,27,32H,17H2,1-2H3,(H,33,36)(H,34,35)
InChIKey BSRYWGOBWCWCRU-UHFFFAOYSA-N
Molecular Weight 529.058 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10544
Solvent DMSO-d6
Source Vendor ID: NMR/10251833; Lab Info: KR; Lab Number: KR-KV00204