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6-(trifluoromethyl)-7H-purin-2-amine
SpectraBase Compound ID D9i8KNl7pEn
InChI InChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(12-1-11-2)14-5(10)13-3/h1H,(H3,10,11,12,13,14)
InChIKey BPGSASFKCZQNNZ-UHFFFAOYSA-N
Mol Weight 203.13 g/mol
Molecular Formula C6H4F3N5
Exact Mass 203.04188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J0P0FxMSHKw
Name 6-(trifluoromethyl)-7H-purin-2-amine
Alternate Name(s) [6-(trifluoromethyl)-7H-purin-2-yl]amine
Comments Less than 3 mono-isotopic peaks
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Formula C6H4F3N5
InChI InChI=1S/C6H4F3N5/c7-6(8,9)3-2-4(12-1-11-2)14-5(10)13-3/h1H,(H3,10,11,12,13,14)
InChIKey BPGSASFKCZQNNZ-UHFFFAOYSA-N
Molecular Weight 203.128 g/mol
SMILES [nH]1cnc2nc(nc(c12)C(F)(F)F)N
SPLASH splash10-0udi-0290000000-2e5f4678469f60485a38
Source of Spectrum G-64-238-9
Wiley ID 749526