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N(9)-pentafluorobenzyl-O(6)-hydroxyethylguanine
SpectraBase Compound ID LSnZGU5VDZy
InChI InChI=1S/C14H10F5N5O2/c15-6-5(7(16)9(18)10(19)8(6)17)3-24-4-21-11-12(24)22-14(20)23-13(11)26-2-1-25/h4,25H,1-3H2,(H2,20,22,23)
InChIKey JDGMUHYVPFUAEB-UHFFFAOYSA-N
Mol Weight 375.26 g/mol
Molecular Formula C14H10F5N5O2
Exact Mass 375.075465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FgeMvkmjU4
Name N(9)-pentafluorobenzyl-O(6)-hydroxyethylguanine
Alternate Name(s) 2-Amino-6-(2'-hydroxyethoxy)-9-(pentafluorobenzyl)purine
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Formula C14H10F5N5O2
InChI InChI=1S/C14H10F5N5O2/c15-6-5(7(16)9(18)10(19)8(6)17)3-24-4-21-11-12(24)22-14(20)23-13(11)26-2-1-25/h4,25H,1-3H2,(H2,20,22,23)
InChIKey JDGMUHYVPFUAEB-UHFFFAOYSA-N
Molecular Weight 375.259 g/mol
SMILES OCCOc1nc(nc2c1nc[n]2Cc1c(c(c(F)c(c1F)F)F)F)N
SPLASH splash10-001i-0719000000-daecf75bf8484d45279e
Source of Spectrum KO-18-967-12
Wiley ID 1357070