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3-pyridinecarboxamide, 6-[[2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-
SpectraBase Compound ID Hn9uMMA7Hld
InChI InChI=1S/C28H25ClN4O5S/c1-16-25(27(35)33-19-7-4-5-8-21(19)36-2)26(23-9-6-12-38-23)18(14-30)28(31-16)39-15-24(34)32-20-13-17(29)10-11-22(20)37-3/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey LVWRLWXLOODVET-UHFFFAOYSA-N
Mol Weight 565.04 g/mol
Molecular Formula C28H25ClN4O5S
Exact Mass 564.123419 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 41MypPUG268
Name 3-pyridinecarboxamide, 6-[[2-[(5-chloro-2-methoxyphenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-N-(2-methoxyphenyl)-2-methyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 564.123418790 u
Formula C28H25ClN4O5S
InChI InChI=1S/C28H25ClN4O5S/c1-16-25(27(35)33-19-7-4-5-8-21(19)36-2)26(23-9-6-12-38-23)18(14-30)28(31-16)39-15-24(34)32-20-13-17(29)10-11-22(20)37-3/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey LVWRLWXLOODVET-UHFFFAOYSA-N
Molecular Weight 565.044 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10553
Solvent DMSO-d6
Source Vendor ID: NMR/10251845; Lab Info: KR; Lab Number: KR-KV00223