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6-[Methyl(trifluoromethyl)amino]-9-benzyl-9H-purine
SpectraBase Compound ID HxUheo7pqNl
InChI InChI=1S/C14H12F3N5/c1-21(14(15,16)17)12-11-13(19-8-18-12)22(9-20-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKey QNNKPYDXFIOOIL-UHFFFAOYSA-N
Mol Weight 307.28 g/mol
Molecular Formula C14H12F3N5
Exact Mass 307.10448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3NLW2SNfLIk
Name 6-[Methyl(trifluoromethyl)amino]-9-benzyl-9H-purine
Alternate Name(s) 9-Benzyl-N-methyl-N-(trifluoromethyl)-9H-purin-6-amine N-(9-benzyl-9H-purin-6-yl)-N-methyl-N-(trifluoromethyl)amine
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Formula C14H12F3N5
InChI InChI=1S/C14H12F3N5/c1-21(14(15,16)17)12-11-13(19-8-18-12)22(9-20-11)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKey QNNKPYDXFIOOIL-UHFFFAOYSA-N
Molecular Weight 307.280 g/mol
SMILES c12c(N(C(F)(F)F)C)ncnc2[n](Cc2ccccc2)cn1
SPLASH splash10-0006-9001000000-965a6d39e3d727147088
Source of Spectrum AJ-71-1991-26
Wiley ID 774715