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4-(2,4-dimethoxypyrimidin-5-yl)benzonitrile
SpectraBase Compound ID IJ6gfBKoxl6
InChI InChI=1S/C13H11N3O2/c1-17-12-11(8-15-13(16-12)18-2)10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3
InChIKey ZESYCGAGGATLCL-UHFFFAOYSA-N
Mol Weight 241.25 g/mol
Molecular Formula C13H11N3O2
Exact Mass 241.085127 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7VuD3alD3HM
Name 4-(2,4-dimethoxypyrimidin-5-yl)benzonitrile
Appearance Colorless solid
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Formula C13H11N3O2
InChI InChI=1S/C13H11N3O2/c1-17-12-11(8-15-13(16-12)18-2)10-5-3-9(7-14)4-6-10/h3-6,8H,1-2H3
InChIKey ZESYCGAGGATLCL-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3762/bjoc.7.147
Molecular Weight 241.250 g/mol
Reported Formula C13H11N3O2
SMILES c1nc(nc(c1-c1ccc(cc1)C#N)OC)OC
SPLASH splash10-0006-0290000000-c29062318e46de0cd064
Source of Spectrum BJO-7-SM14-159
Wiley ID 1867118