John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=HjpcaUgDXym SpectraBase Spectrum ID=10s6L6EAp4k

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4-(BENZYLTHIO)-6-(p-CHLOROPHENYL)-2-(4-PYRIDYL)-5-PYRIMIDINECARBONITRILE
SpectraBase Compound ID HjpcaUgDXym
InChI InChI=1S/C23H15ClN4S/c24-19-8-6-17(7-9-19)21-20(14-25)23(29-15-16-4-2-1-3-5-16)28-22(27-21)18-10-12-26-13-11-18/h1-13H,15H2
InChIKey RMEGUDDBBWNHLX-UHFFFAOYSA-N
Mol Weight 414.91 g/mol
Molecular Formula C23H15ClN4S
Exact Mass 414.070596 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10s6L6EAp4k
Name 4-(BENZYLTHIO)-6-(p-CHLOROPHENYL)-2-(4-PYRIDYL)-5-PYRIMIDINECARBONITRILE
Source of Sample Bionet Research Ltd., Cornwall, England
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Formula C23H15ClN4S
InChI InChI=1S/C23H15ClN4S/c24-19-8-6-17(7-9-19)21-20(14-25)23(29-15-16-4-2-1-3-5-16)28-22(27-21)18-10-12-26-13-11-18/h1-13H,15H2
InChIKey RMEGUDDBBWNHLX-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Melting Point 194-195C
Molecular Weight 414.92
Solvent CDCl3; Reference=TMS; Temperature 297K
SpectraBase Batch ID 1NIUR6aIyWg