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

View entire compound with spectra: 1 NMR

3-pyridinecarboxamide, 5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-2-methyl-4-phenyl-
SpectraBase Compound ID D4eQIvYxxUb
InChI InChI=1S/C29H25IN4O3S/c1-18-26(28(36)34-23-10-6-7-11-24(23)37-2)27(19-8-4-3-5-9-19)22(16-31)29(32-18)38-17-25(35)33-21-14-12-20(30)13-15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey OFDANFZQOXZRFM-UHFFFAOYSA-N
Mol Weight 636.51 g/mol
Molecular Formula C29H25IN4O3S
Exact Mass 636.069207 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K9iKFoZeAdP
Name 3-pyridinecarboxamide, 5-cyano-1,4-dihydro-6-[[2-[(4-iodophenyl)amino]-2-oxoethyl]thio]-N-(2-methoxyphenyl)-2-methyl-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 636.069206852 u
Formula C29H25IN4O3S
InChI InChI=1S/C29H25IN4O3S/c1-18-26(28(36)34-23-10-6-7-11-24(23)37-2)27(19-8-4-3-5-9-19)22(16-31)29(32-18)38-17-25(35)33-21-14-12-20(30)13-15-21/h3-15,27,32H,17H2,1-2H3,(H,33,35)(H,34,36)
InChIKey OFDANFZQOXZRFM-UHFFFAOYSA-N
Molecular Weight 636.508 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7736
Solvent DMSO-d6
Source Vendor ID: NMR/10231947; Lab Info: KR; Lab Number: KR-KC00141
Temperature 23.85 °C