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

View entire compound with spectra: 1 NMR

3-pyridinecarboxamide, 6-[[2-[(3-butoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-phenyl-
SpectraBase Compound ID 62N4NjMx6od
InChI InChI=1S/C33H34N4O4S/c1-4-5-18-41-25-15-11-14-24(19-25)36-29(38)21-42-33-26(20-34)31(23-12-7-6-8-13-23)30(22(2)35-33)32(39)37-27-16-9-10-17-28(27)40-3/h6-17,19,31,35H,4-5,18,21H2,1-3H3,(H,36,38)(H,37,39)
InChIKey NAXBASDHLFQGKG-UHFFFAOYSA-N
Mol Weight 582.7 g/mol
Molecular Formula C33H34N4O4S
Exact Mass 582.230077 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LmMSa8VVYcN
Name 3-pyridinecarboxamide, 6-[[2-[(3-butoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-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 582.230076761 u
Formula C33H34N4O4S
InChI InChI=1S/C33H34N4O4S/c1-4-5-18-41-25-15-11-14-24(19-25)36-29(38)21-42-33-26(20-34)31(23-12-7-6-8-13-23)30(22(2)35-33)32(39)37-27-16-9-10-17-28(27)40-3/h6-17,19,31,35H,4-5,18,21H2,1-3H3,(H,36,38)(H,37,39)
InChIKey NAXBASDHLFQGKG-UHFFFAOYSA-N
Molecular Weight 582.719 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7735
Solvent DMSO-d6
Source Vendor ID: NMR/10231946; Lab Info: KR; Lab Number: KR-KC00140
Temperature 23.85 °C