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3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-
SpectraBase Compound ID JlNQ3FNLBTY
InChI InChI=1S/C27H23ClN4O3S/c1-16-5-9-19(10-6-16)31-23(33)15-36-27-21(14-29)25(22-4-3-13-35-22)24(17(2)30-27)26(34)32-20-11-7-18(28)8-12-20/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey KIUBRGOSSJKPOD-UHFFFAOYSA-N
Mol Weight 519.02 g/mol
Molecular Formula C27H23ClN4O3S
Exact Mass 518.117939 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AAiHXUaY07g
Name 3-pyridinecarboxamide, N-(4-chlorophenyl)-5-cyano-4-(2-furanyl)-1,4-dihydro-2-methyl-6-[[2-[(4-methylphenyl)amino]-2-oxoethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 518.117939488 u
Formula C27H23ClN4O3S
InChI InChI=1S/C27H23ClN4O3S/c1-16-5-9-19(10-6-16)31-23(33)15-36-27-21(14-29)25(22-4-3-13-35-22)24(17(2)30-27)26(34)32-20-11-7-18(28)8-12-20/h3-13,25,30H,15H2,1-2H3,(H,31,33)(H,32,34)
InChIKey KIUBRGOSSJKPOD-UHFFFAOYSA-N
Molecular Weight 519.019 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10583
Solvent DMSO-d6
Source Vendor ID: NMR/10251901; Lab Info: KR; Lab Number: KR-KV00315