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6-Methyl-2-phenyl-5-(methoxycarbonyl)-3-amini-1,3-pyrimidine
SpectraBase Compound ID EkGUim6vSyV
InChI InChI=1S/C13H13N3O/c1-8-11(13(14)16-9(2)15-8)12(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16)
InChIKey VHIGDHPQAAWJNL-UHFFFAOYSA-N
Mol Weight 227.27 g/mol
Molecular Formula C13H13N3O
Exact Mass 227.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9QVZ2myF0tc
Name 6-Methyl-2-phenyl-5-(methoxycarbonyl)-3-amini-1,3-pyrimidine
Alternate Name(s) (4-amino-2,6-dimethyl-5-pyrimidinyl)(phenyl)methanone (4-amino-2,6-dimethyl-pyrimidin-5-yl)-phenyl-methanone (4-azanyl-2,6-dimethyl-pyrimidin-5-yl)-phenyl-methanone 2,6-dimethyl-5-(phenylcarbonyl)-4-amino-pyrimidine 4-Amino-5-benzoyl-2,6-dimethylpyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C13H13N3O
InChI InChI=1S/C13H13N3O/c1-8-11(13(14)16-9(2)15-8)12(17)10-6-4-3-5-7-10/h3-7H,1-2H3,(H2,14,15,16)
InChIKey VHIGDHPQAAWJNL-UHFFFAOYSA-N
Molecular Weight 227.267 g/mol
SMILES Nc1c(c(nc(C)n1)C)C(=O)c1ccccc1
SPLASH splash10-004i-0390000000-049837351a9abb7915ec
Source of Spectrum F9-1994-1473-5
Wiley ID 1566929