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4-(p-CHLOROPHENYL)-2-PHENYL-6-(PHENYLTHIO)-5-PYRIMIDINECARBONITRILE

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

4-(p-CHLOROPHENYL)-2-PHENYL-6-(PHENYLTHIO)-5-PYRIMIDINECARBONITRILE
SpectraBase Compound ID 22KedMww3ke
InChI InChI=1S/C23H14ClN3S/c24-18-13-11-16(12-14-18)21-20(15-25)23(28-19-9-5-2-6-10-19)27-22(26-21)17-7-3-1-4-8-17/h1-14H
InChIKey IXFXJQQMGUNKHV-UHFFFAOYSA-N
Mol Weight 399.9 g/mol
Molecular Formula C23H14ClN3S
Exact Mass 399.059696 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1SzpY63lLWc
Name 4-(p-CHLOROPHENYL)-2-PHENYL-6-(PHENYLTHIO)-5-PYRIMIDINECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H14ClN3S
InChI InChI=1S/C23H14ClN3S/c24-18-13-11-16(12-14-18)21-20(15-25)23(28-19-9-5-2-6-10-19)27-22(26-21)17-7-3-1-4-8-17/h1-14H
InChIKey IXFXJQQMGUNKHV-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 187-189C
Molecular Weight 399.90
Solvent CDCl3; Reference=TMS; Temperature 297K