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3-pyridinecarboxamide, 6-(butylthio)-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)-

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3-pyridinecarboxamide, 6-(butylthio)-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)-
SpectraBase Compound ID IlF1rPTwMhK
InChI InChI=1S/C22H23N3OS2/c1-3-4-12-28-22-17(14-23)20(18-11-8-13-27-18)19(15(2)24-22)21(26)25-16-9-6-5-7-10-16/h5-11,13,20,24H,3-4,12H2,1-2H3,(H,25,26)
InChIKey BJJRMAAPKRNSSL-UHFFFAOYSA-N
Mol Weight 409.57 g/mol
Molecular Formula C22H23N3OS2
Exact Mass 409.128255 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IrKuh1kAqVT
Name 3-pyridinecarboxamide, 6-(butylthio)-5-cyano-1,4-dihydro-2-methyl-N-phenyl-4-(2-thienyl)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.128254720 u
Formula C22H23N3OS2
InChI InChI=1S/C22H23N3OS2/c1-3-4-12-28-22-17(14-23)20(18-11-8-13-27-18)19(15(2)24-22)21(26)25-16-9-6-5-7-10-16/h5-11,13,20,24H,3-4,12H2,1-2H3,(H,25,26)
InChIKey BJJRMAAPKRNSSL-UHFFFAOYSA-N
Molecular Weight 409.566 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10579
Solvent DMSO-d6
Source Vendor ID: NMR/10251894; Lab Info: KR; Lab Number: KR-KV00298