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N(9)-pentafluorobenzyl-O(6)-[2-(pentafluorobenzyloxy)ethyl]purine
SpectraBase Compound ID BG4kQJBAWs8
InChI InChI=1S/C21H10F10N4O2/c22-9-7(10(23)14(27)17(30)13(9)26)3-35-6-34-19-20(35)32-5-33-21(19)37-2-1-36-4-8-11(24)15(28)18(31)16(29)12(8)25/h5-6H,1-4H2
InChIKey QWGXHOZIOAWWMB-UHFFFAOYSA-N
Mol Weight 540.32 g/mol
Molecular Formula C21H10F10N4O2
Exact Mass 540.064407 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79x6CkVsCVI
Name N(9)-pentafluorobenzyl-O(6)-[2-(pentafluorobenzyloxy)ethyl]purine
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Formula C21H10F10N4O2
InChI InChI=1S/C21H10F10N4O2/c22-9-7(10(23)14(27)17(30)13(9)26)3-35-6-34-19-20(35)32-5-33-21(19)37-2-1-36-4-8-11(24)15(28)18(31)16(29)12(8)25/h5-6H,1-4H2
InChIKey QWGXHOZIOAWWMB-UHFFFAOYSA-N
Molecular Weight 540.321 g/mol
SMILES c1(c(c(F)c(c(c1F)F)F)F)C[n]1c2c(c(OCCOCc3c(c(F)c(c(c3F)F)F)F)ncn2)nc1
SPLASH splash10-001i-0709020000-50148c56d9cc0e637355
Source of Spectrum KO-18-967-14
Synonyms 6-[2'-(pentafluorobenzyloxy)ethoxy]-9-(pentafluorobenzyl)purine 9-(2,3,4,5,6-pentafluorobenzyl)-6-{2-[(2,3,4,5,6-pentafluorobenzyl)oxy]ethoxy}-9H-purine
Wiley ID 1404533