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3-pyridinecarboxamide, 6-[[2-[(3-chloro-2-methylphenyl)amino]-2-oxoethyl]thio]-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-N-(2-methylphenyl)-
SpectraBase Compound ID JToaHGLFoXy
InChI InChI=1S/C28H25ClN4O3S/c1-16-8-4-5-10-21(16)33-27(35)25-18(3)31-28(19(14-30)26(25)23-12-7-13-36-23)37-15-24(34)32-22-11-6-9-20(29)17(22)2/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey WZFSYLPICMWQJX-UHFFFAOYSA-N
Mol Weight 533.05 g/mol
Molecular Formula C28H25ClN4O3S
Exact Mass 532.13359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CzQm1Xbn9O7
Name 3-pyridinecarboxamide, 6-[[2-[(3-chloro-2-methylphenyl)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 532.133589552 u
Formula C28H25ClN4O3S
InChI InChI=1S/C28H25ClN4O3S/c1-16-8-4-5-10-21(16)33-27(35)25-18(3)31-28(19(14-30)26(25)23-12-7-13-36-23)37-15-24(34)32-22-11-6-9-20(29)17(22)2/h4-13,26,31H,15H2,1-3H3,(H,32,34)(H,33,35)
InChIKey WZFSYLPICMWQJX-UHFFFAOYSA-N
Molecular Weight 533.046 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10572
Solvent DMSO-d6
Source Vendor ID: NMR/10251877; Lab Info: KR; Lab Number: KR-KV00276