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3-pyridinecarboxamide, 6-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N,4-diphenyl-
SpectraBase Compound ID 9oGzBpjpSx1
InChI InChI=1S/C28H23BrN4O2S/c1-18-25(27(35)33-21-12-6-3-7-13-21)26(19-9-4-2-5-10-19)23(16-30)28(31-18)36-17-24(34)32-22-14-8-11-20(29)15-22/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey PNXDSAOMUNXHDQ-UHFFFAOYSA-N
Mol Weight 559.48 g/mol
Molecular Formula C28H23BrN4O2S
Exact Mass 558.07251 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HCfyF8c8bH9
Name 3-pyridinecarboxamide, 6-[[2-[(3-bromophenyl)amino]-2-oxoethyl]thio]-5-cyano-1,4-dihydro-2-methyl-N,4-diphenyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 558.072510169 u
Formula C28H23BrN4O2S
InChI InChI=1S/C28H23BrN4O2S/c1-18-25(27(35)33-21-12-6-3-7-13-21)26(19-9-4-2-5-10-19)23(16-30)28(31-18)36-17-24(34)32-22-14-8-11-20(29)15-22/h2-15,26,31H,17H2,1H3,(H,32,34)(H,33,35)
InChIKey PNXDSAOMUNXHDQ-UHFFFAOYSA-N
Molecular Weight 559.482 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10525
Solvent DMSO-d6
Source Vendor ID: NMR/10251799; Lab Info: KR; Lab Number: KR-KV00167