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3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(3-methylphenyl)amino]-2-oxoethyl]thio]-4-phenyl-
SpectraBase Compound ID 1KekR4tTM8x
InChI InChI=1S/C29H25ClN4O2S/c1-18-7-6-10-23(15-18)33-25(35)17-37-29-24(16-31)27(20-8-4-3-5-9-20)26(19(2)32-29)28(36)34-22-13-11-21(30)12-14-22/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey UHTZTMIVKGRCEH-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 7snkfTyiJ5m
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-2-methyl-6-[[2-[(3-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/c1-18-7-6-10-23(15-18)33-25(35)17-37-29-24(16-31)27(20-8-4-3-5-9-20)26(19(2)32-29)28(36)34-22-13-11-21(30)12-14-22/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey UHTZTMIVKGRCEH-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_10545
Solvent DMSO-d6
Source Vendor ID: NMR/10251834; Lab Info: KR; Lab Number: KR-KV00205