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3-pyridinecarboxamide, 5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-4-(2-thienyl)-
SpectraBase Compound ID Exnzeoufrb4
InChI InChI=1S/C31H26N4O2S2/c1-19-8-3-6-11-25(19)35-30(37)28-20(2)33-31(24(17-32)29(28)26-12-7-15-38-26)39-18-27(36)34-23-14-13-21-9-4-5-10-22(21)16-23/h3-16,29,33H,18H2,1-2H3,(H,34,36)(H,35,37)
InChIKey CHTDZQSJRFCASQ-UHFFFAOYSA-N
Mol Weight 550.7 g/mol
Molecular Formula C31H26N4O2S2
Exact Mass 550.149718 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7hAkpjSsslt
Name 3-pyridinecarboxamide, 5-cyano-1,4-dihydro-2-methyl-N-(2-methylphenyl)-6-[[2-(2-naphthalenylamino)-2-oxoethyl]thio]-4-(2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 550.149718439 u
Formula C31H26N4O2S2
InChI InChI=1S/C31H26N4O2S2/c1-19-8-3-6-11-25(19)35-30(37)28-20(2)33-31(24(17-32)29(28)26-12-7-15-38-26)39-18-27(36)34-23-14-13-21-9-4-5-10-22(21)16-23/h3-16,29,33H,18H2,1-2H3,(H,34,36)(H,35,37)
InChIKey CHTDZQSJRFCASQ-UHFFFAOYSA-N
Molecular Weight 550.695 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7732
Solvent DMSO-d6
Source Vendor ID: NMR/10231941; Lab Info: KR; Lab Number: KR-KC00129