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3-pyridinecarboxamide, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID BX3Yqg941jl
InChI InChI=1S/C27H23BrN4O3S/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 FFZKTNLNCVSIGU-UHFFFAOYSA-N
Mol Weight 563.47 g/mol
Molecular Formula C27H23BrN4O3S
Exact Mass 562.067425 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3hjfPjtyik4
Name 3-pyridinecarboxamide, 6-[[2-[(4-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 562.067424788 u
Formula C27H23BrN4O3S
InChI InChI=1S/C27H23BrN4O3S/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 FFZKTNLNCVSIGU-UHFFFAOYSA-N
Molecular Weight 563.470 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10568
Solvent DMSO-d6
Source Vendor ID: NMR/10251868; Lab Info: KR; Lab Number: KR-KV00267