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N(6)-methyl-N(9)-pentafluorobenzyl-adenine
SpectraBase Compound ID 7enYrYavbNw
InChI InChI=1S/C13H8F5N5/c1-19-12-11-13(21-3-20-12)23(4-22-11)2-5-6(14)8(16)10(18)9(17)7(5)15/h3-4H,2H2,1H3,(H,19,20,21)
InChIKey RETRGVVLKPQXFN-UHFFFAOYSA-N
Mol Weight 329.23 g/mol
Molecular Formula C13H8F5N5
Exact Mass 329.069986 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3l4VSNYkZdL
Name N(6)-methyl-N(9)-pentafluorobenzyl-adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8F5N5
InChI InChI=1S/C13H8F5N5/c1-19-12-11-13(21-3-20-12)23(4-22-11)2-5-6(14)8(16)10(18)9(17)7(5)15/h3-4H,2H2,1H3,(H,19,20,21)
InChIKey RETRGVVLKPQXFN-UHFFFAOYSA-N
Molecular Weight 329.234 g/mol
SMILES N(c1c2c([n](Cc3c(c(c(F)c(c3F)F)F)F)cn2)ncn1)C
SPLASH splash10-003s-2915000000-8018ebcfb4c4d750563e
Source of Spectrum KO-18-967-10
Synonyms 6-Methylamino-9-(pentafluorobenzyl)purine
Wiley ID 1326928