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3-pyridinecarboxamide, 5-cyano-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-6-[[2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]thio]-
SpectraBase Compound ID F8fT1VVVRpT
InChI InChI=1S/C33H28N4O5S/c1-21-30(32(39)37-26-11-6-7-12-27(26)40-2)31(28-13-8-18-41-28)25(19-34)33(35-21)43-20-29(38)36-22-14-16-24(17-15-22)42-23-9-4-3-5-10-23/h3-18,31,35H,20H2,1-2H3,(H,36,38)(H,37,39)
InChIKey OAOQPBPRJNQDBA-UHFFFAOYSA-N
Mol Weight 592.7 g/mol
Molecular Formula C33H28N4O5S
Exact Mass 592.178041 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7RQ8IJrFmuo
Name 3-pyridinecarboxamide, 5-cyano-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-6-[[2-oxo-2-[(4-phenoxyphenyl)amino]ethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 592.178041187 u
Formula C33H28N4O5S
InChI InChI=1S/C33H28N4O5S/c1-21-30(32(39)37-26-11-6-7-12-27(26)40-2)31(28-13-8-18-41-28)25(19-34)33(35-21)43-20-29(38)36-22-14-16-24(17-15-22)42-23-9-4-3-5-10-23/h3-18,31,35H,20H2,1-2H3,(H,36,38)(H,37,39)
InChIKey OAOQPBPRJNQDBA-UHFFFAOYSA-N
Molecular Weight 592.670 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10554
Solvent DMSO-d6
Source Vendor ID: NMR/10251846; Lab Info: KR; Lab Number: KR-KV00224