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4-Trifluoromethyl-6-(4-bromophenyl)-2-acetylaminopyrimidine
SpectraBase Compound ID EVzDGr32qNl
InChI InChI=1S/C13H9BrF3N3O/c1-7(21)18-12-19-10(6-11(20-12)13(15,16)17)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,18,19,20,21)
InChIKey LYKJTPFESZSAGI-UHFFFAOYSA-N
Mol Weight 360.13 g/mol
Molecular Formula C13H9BrF3N3O
Exact Mass 358.988109 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jj2Qm5lcASX
Name 4-Trifluoromethyl-6-(4-bromophenyl)-2-acetylaminopyrimidine
Alternate Name(s) N-[4-(4-bromophenyl)-6-(trifluoromethyl)-2-pyrimidinyl]acetamide N-[4-(4-bromophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]ethanamide
Comments Less than 3 mono-isotopic peaks
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Formula C13H9BrF3N3O
InChI InChI=1S/C13H9BrF3N3O/c1-7(21)18-12-19-10(6-11(20-12)13(15,16)17)8-2-4-9(14)5-3-8/h2-6H,1H3,(H,18,19,20,21)
InChIKey LYKJTPFESZSAGI-UHFFFAOYSA-N
Molecular Weight 360.134 g/mol
SMILES N(c1nc(C(F)(F)F)cc(n1)-c1ccc(cc1)Br)C(=O)C
SPLASH splash10-014i-0009000000-82b4d489434722a93b74
Source of Spectrum Y-45-485-3f
Wiley ID 1666337