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N(9)-pentafluorobenzyl-O(6)-[2-(pentafluorobenzyloxy)ethyl]guanine
SpectraBase Compound ID BGs8dDUF9es
InChI InChI=1S/C21H11F10N5O2/c22-8-6(9(23)13(27)16(30)12(8)26)3-36-5-33-18-19(36)34-21(32)35-20(18)38-2-1-37-4-7-10(24)14(28)17(31)15(29)11(7)25/h5H,1-4H2,(H2,32,34,35)
InChIKey PHSCRENFSLUICZ-UHFFFAOYSA-N
Mol Weight 555.34 g/mol
Molecular Formula C21H11F10N5O2
Exact Mass 555.075306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KoYvVYonhNG
Name N(9)-pentafluorobenzyl-O(6)-[2-(pentafluorobenzyloxy)ethyl]guanine
Alternate Name(s) 2-Amino-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-purin-2-amine 9-(2,3,4,5,6-pentafluorobenzyl)-6-{2-[(2,3,4,5,6-pentafluorobenzyl)oxy]ethoxy}-9H-purin-2-ylamine
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Formula C21H11F10N5O2
InChI InChI=1S/C21H11F10N5O2/c22-8-6(9(23)13(27)16(30)12(8)26)3-36-5-33-18-19(36)34-21(32)35-20(18)38-2-1-37-4-7-10(24)14(28)17(31)15(29)11(7)25/h5H,1-4H2,(H2,32,34,35)
InChIKey PHSCRENFSLUICZ-UHFFFAOYSA-N
Molecular Weight 555.336 g/mol
SMILES Nc1nc(c2c([n](Cc3c(c(F)c(c(c3F)F)F)F)cn2)n1)OCCOCc1c(c(F)c(c(c1F)F)F)F
SPLASH splash10-001i-4904010000-1ece5a51ae1aac339c01
Source of Spectrum KO-18-967-13
Wiley ID 1406278