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4-Amino-2-(p-anisyl)-6-(p-chlorophenyl)pyrimidine-5-carbonitrile
SpectraBase Compound ID AbHo4BHCUbj
InChI InChI=1S/C18H13ClN4O/c1-24-14-8-4-12(5-9-14)18-22-16(15(10-20)17(21)23-18)11-2-6-13(19)7-3-11/h2-9H,1H3,(H2,21,22,23)
InChIKey MALSLKMRMHOBDE-UHFFFAOYSA-N
Mol Weight 336.78 g/mol
Molecular Formula C18H13ClN4O
Exact Mass 336.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BCBuXCICjSy
Name 4-Amino-2-(p-anisyl)-6-(p-chlorophenyl)pyrimidine-5-carbonitrile
Alternate Name(s) 4-amino-6-(4-chlorophenyl)-2-(4-methoxyphenyl)-5-pyrimidinecarbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C18H13ClN4O
InChI InChI=1S/C18H13ClN4O/c1-24-14-8-4-12(5-9-14)18-22-16(15(10-20)17(21)23-18)11-2-6-13(19)7-3-11/h2-9H,1H3,(H2,21,22,23)
InChIKey MALSLKMRMHOBDE-UHFFFAOYSA-N
Molecular Weight 336.782 g/mol
SMILES Nc1nc(-c2ccc(cc2)OC)nc(c1C#N)-c1ccc(cc1)Cl
SPLASH splash10-000i-0029000000-52ad3418e90fafdc2efb
Source of Spectrum CV-0-217-5
Wiley ID 872593