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2-(2-Methylphenyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one
SpectraBase Compound ID 2Q1LoWUfR3V
InChI InChI=1S/C14H14N2O/c1-9-5-2-3-6-10(9)13-15-12-8-4-7-11(12)14(17)16-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16,17)
InChIKey NZTWSQMPNGVKJK-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C14H14N2O
Exact Mass 226.110613 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KZ9GBRpRvmt
Name 2-(2-Methylphenyl)-5H-6,7-dihydrocyclopenta[d]pyrimidin-4(3H)one
Alternate Name(s) 2-(2-methylphenyl)-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks; Note: The molecular formula of the structure shown is C14H14N2O - which differs from the formula reported for the mass spectrum (C15H16N2O)
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Formula C15H16N2O
InChI InChI=1S/C14H14N2O/c1-9-5-2-3-6-10(9)13-15-12-8-4-7-11(12)14(17)16-13/h2-3,5-6H,4,7-8H2,1H3,(H,15,16,17)
InChIKey NZTWSQMPNGVKJK-UHFFFAOYSA-N
Molecular Weight 226.279 g/mol
SMILES N1C(=NC2=C(C1=O)CCC2)c1c(cccc1)C
SPLASH splash10-000f-0090000000-bb35a7b1e1ce1ba7f921
Source of Spectrum J-58-417-5
Wiley ID 1243324