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4-(p-CHLOROPHENYL)-6-(PHENYLTHIO)-2-(3-PYRIDYL)-5-PYRIMIDINECARBONITRILE

View entire compound with spectra: 1 NMR, and 1 FTIR

4-(p-CHLOROPHENYL)-6-(PHENYLTHIO)-2-(3-PYRIDYL)-5-PYRIMIDINECARBONITRILE
SpectraBase Compound ID 3OvtMxJHZpR
InChI InChI=1S/C22H13ClN4S/c23-17-10-8-15(9-11-17)20-19(13-24)22(28-18-6-2-1-3-7-18)27-21(26-20)16-5-4-12-25-14-16/h1-12,14H
InChIKey XQYUFHOODGQKMV-UHFFFAOYSA-N
Mol Weight 400.89 g/mol
Molecular Formula C22H13ClN4S
Exact Mass 400.054945 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3UWI14Q1TH9
Name 4-(p-CHLOROPHENYL)-6-(PHENYLTHIO)-2-(3-PYRIDYL)-5-PYRIMIDINECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H13ClN4S
InChI InChI=1S/C22H13ClN4S/c23-17-10-8-15(9-11-17)20-19(13-24)22(28-18-6-2-1-3-7-18)27-21(26-20)16-5-4-12-25-14-16/h1-12,14H
InChIKey XQYUFHOODGQKMV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 202-204C
Molecular Weight 400.89
Solvent CDCl3; Reference=TMS; Temperature 297K