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3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-
SpectraBase Compound ID DefSW7DEgDr
InChI InChI=1S/C26H20Cl2N4O3S/c1-15-23(25(34)32-19-10-6-17(28)7-11-19)24(21-3-2-12-35-21)20(13-29)26(30-15)36-14-22(33)31-18-8-4-16(27)5-9-18/h2-12,24,30H,14H2,1H3,(H,31,33)(H,32,34)
InChIKey WTJBSZUKZCTZRF-UHFFFAOYSA-N
Mol Weight 539.44 g/mol
Molecular Formula C26H20Cl2N4O3S
Exact Mass 538.063317 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4IZfJGQmIUe
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-6-[[2-[(4-chlorophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 538.063317091 u
Formula C26H20Cl2N4O3S
InChI InChI=1S/C26H20Cl2N4O3S/c1-15-23(25(34)32-19-10-6-17(28)7-11-19)24(21-3-2-12-35-21)20(13-29)26(30-15)36-14-22(33)31-18-8-4-16(27)5-9-18/h2-12,24,30H,14H2,1H3,(H,31,33)(H,32,34)
InChIKey WTJBSZUKZCTZRF-UHFFFAOYSA-N
Molecular Weight 539.437 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10584
Solvent DMSO-d6
Source Vendor ID: NMR/10251905; Lab Info: KR; Lab Number: KR-KV00319