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3-pyridinecarboxamide, 5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-thienyl)-6-[[2-oxo-2-(phenylamino)ethyl]thio]-
SpectraBase Compound ID 4NiVw3NOOI8
InChI InChI=1S/C28H26N4O3S2/c1-17-13-14-23(37-17)26-20(15-29)28(36-16-24(33)31-19-9-5-4-6-10-19)30-18(2)25(26)27(34)32-21-11-7-8-12-22(21)35-3/h4-14,26,30H,16H2,1-3H3,(H,31,33)(H,32,34)
InChIKey QQMPZUYEUGQHCX-UHFFFAOYSA-N
Mol Weight 530.66 g/mol
Molecular Formula C28H26N4O3S2
Exact Mass 530.144633 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Jhphl5I0a0D
Name 3-pyridinecarboxamide, 5-cyano-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-4-(5-methyl-2-thienyl)-6-[[2-oxo-2-(phenylamino)ethyl]thio]-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 530.144633058 u
Formula C28H26N4O3S2
InChI InChI=1S/C28H26N4O3S2/c1-17-13-14-23(37-17)26-20(15-29)28(36-16-24(33)31-19-9-5-4-6-10-19)30-18(2)25(26)27(34)32-21-11-7-8-12-22(21)35-3/h4-14,26,30H,16H2,1-3H3,(H,31,33)(H,32,34)
InChIKey QQMPZUYEUGQHCX-UHFFFAOYSA-N
Molecular Weight 530.661 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14534
Solvent DMSO-d6
Source Vendor ID: NMR/10231374; Lab Info: DVD; Lab Number: DVD-0000010