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

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3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-methyl-4-phenyl-
SpectraBase Compound ID AIHxNvynxnb
InChI InChI=1S/C28H22ClIN4O2S/c1-17-25(27(36)34-22-11-7-19(29)8-12-22)26(18-5-3-2-4-6-18)23(15-31)28(32-17)37-16-24(35)33-21-13-9-20(30)10-14-21/h2-14,26,32H,16H2,1H3,(H,33,35)(H,34,36)
InChIKey XXNPJVTWQDXRBF-UHFFFAOYSA-N
Mol Weight 640.93 g/mol
Molecular Formula C28H22ClIN4O2S
Exact Mass 640.01967 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5e1cUEyiHHh
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-2-methyl-4-phenyl-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 640.019669836 u
Formula C28H22ClIN4O2S
InChI InChI=1S/C28H22ClIN4O2S/c1-17-25(27(36)34-22-11-7-19(29)8-12-22)26(18-5-3-2-4-6-18)23(15-31)28(32-17)37-16-24(35)33-21-13-9-20(30)10-14-21/h2-14,26,32H,16H2,1H3,(H,33,35)(H,34,36)
InChIKey XXNPJVTWQDXRBF-UHFFFAOYSA-N
Molecular Weight 640.927 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10539
Solvent DMSO-d6
Source Vendor ID: NMR/10251825; Lab Info: KR; Lab Number: KR-KV00195