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6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-4-(perfluoroethyl)pyrimidine
SpectraBase Compound ID JezKcbzSEn2
InChI InChI=1S/C21H20F6N2O4/c1-19(2)32-16-15(30-9-11-6-4-3-5-7-11)13(31-18(16)33-19)8-12-14(22)17(29-10-28-12)20(23,24)21(25,26)27/h3-7,10,13,15-16,18H,8-9H2,1-2H3/t13-,15+,16-,18-/m1/s1
InChIKey FRKUTNDBOWMNHD-NOVWEMISSA-N
Mol Weight 478.39 g/mol
Molecular Formula C21H20F6N2O4
Exact Mass 478.132726 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6g5t6YWxBhD
Name 6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-4-(perfluoroethyl)pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C21H20F6N2O4
InChI InChI=1S/C21H20F6N2O4/c1-19(2)32-16-15(30-9-11-6-4-3-5-7-11)13(31-18(16)33-19)8-12-14(22)17(29-10-28-12)20(23,24)21(25,26)27/h3-7,10,13,15-16,18H,8-9H2,1-2H3/t13-,15+,16-,18-/m1/s1
InChIKey FRKUTNDBOWMNHD-NOVWEMISSA-N
Molecular Weight 478.391 g/mol
SMILES C(c1c(c(C[C@@]2([C@@]([C@]3(OC(O[C@]3(O2)[H])(C)C)[H])(OCc2ccccc2)[H])[H])ncn1)F)(C(F)(F)F)(F)F
SPLASH splash10-03fr-0009500000-567ef06bc2c5a38fd794
Source of Spectrum K1-2004-1452-9
Synonyms 3-O-benzyl-5-deoxy-5-[5-fluoro-6-(1,1,2,2,2-pentafluoroethyl)-4-pyrimidinyl]-1,2-O-(1-methylethylidene)-.alpha.-D-xylofuranose
Wiley ID 1560602