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3-pyridinecarboxamide, 5-cyano-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-4-(2-thienyl)-
SpectraBase Compound ID DM9xJAv8C4A
InChI InChI=1S/C27H23FN4O2S2/c1-16-6-3-4-7-21(16)32-26(34)24-17(2)30-27(20(14-29)25(24)22-8-5-13-35-22)36-15-23(33)31-19-11-9-18(28)10-12-19/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey VFCLOXDFLWUGRR-UHFFFAOYSA-N
Mol Weight 518.63 g/mol
Molecular Formula C27H23FN4O2S2
Exact Mass 518.124647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1UpvMBVwJSq
Name 3-pyridinecarboxamide, 5-cyano-6-[[2-[(4-fluorophenyl)amino]-2-oxoethyl]thio]-1,4-dihydro-2-methyl-N-(2-methylphenyl)-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 518.124646506 u
Formula C27H23FN4O2S2
InChI InChI=1S/C27H23FN4O2S2/c1-16-6-3-4-7-21(16)32-26(34)24-17(2)30-27(20(14-29)25(24)22-8-5-13-35-22)36-15-23(33)31-19-11-9-18(28)10-12-19/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey VFCLOXDFLWUGRR-UHFFFAOYSA-N
Molecular Weight 518.625 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_7289
Solvent DMSO-d6
Source Vendor ID: NMR/10222658; Lab Info: KR; Lab Number: KR-KSG0092
Temperature 23.85 °C