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6-[4-Chloro-3-(trifluoromethyl)phenyl]amino-2,8-dimethyl-9H-purine
SpectraBase Compound ID IdTv362ebAZ
InChI InChI=1S/C14H11ClF3N5/c1-6-19-11-12(20-6)21-7(2)22-13(11)23-8-3-4-10(15)9(5-8)14(16,17)18/h3-5H,1-2H3,(H2,19,20,21,22,23)
InChIKey HILMJKACWBDDJO-UHFFFAOYSA-N
Mol Weight 341.73 g/mol
Molecular Formula C14H11ClF3N5
Exact Mass 341.065508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7ARNxaKs6X
Name 6-[4-Chloro-3-(trifluoromethyl)phenyl]amino-2,8-dimethyl-9H-purine
Alternate Name(s) N-[4-chloro-3-(trifluoromethyl)phenyl]-2,8-dimethyl-9H-purin-6-amine N-[4-chloro-3-(trifluoromethyl)phenyl]-N-(2,8-dimethyl-9H-purin-6-yl)amine
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Formula C14H11ClF3N5
InChI InChI=1S/C14H11ClF3N5/c1-6-19-11-12(20-6)21-7(2)22-13(11)23-8-3-4-10(15)9(5-8)14(16,17)18/h3-5H,1-2H3,(H2,19,20,21,22,23)
InChIKey HILMJKACWBDDJO-UHFFFAOYSA-N
Molecular Weight 341.725 g/mol
SMILES [nH]1c2nc(nc(c2nc1C)Nc1cc(c(cc1)Cl)C(F)(F)F)C
SPLASH splash10-0006-1009000000-d839bc865e6c5ef36987
Source of Spectrum SO-0-105-3
Wiley ID 1538407