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6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-2-methyl-4-(perfluoroethyl)pyrimidine
SpectraBase Compound ID DmY1467ECE1
InChI InChI=1S/C22H22F6N2O4/c1-11-29-13(15(23)18(30-11)21(24,25)22(26,27)28)9-14-16(31-10-12-7-5-4-6-8-12)17-19(32-14)34-20(2,3)33-17/h4-8,14,16-17,19H,9-10H2,1-3H3/t14-,16+,17-,19-/m1/s1
InChIKey DZWZSUYPBTWMOU-NOCIGQNYSA-N
Mol Weight 492.42 g/mol
Molecular Formula C22H22F6N2O4
Exact Mass 492.148376 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3bzeoehuHRn
Name 6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-2-methyl-4-(perfluoroethyl)pyrimidine
Comments Less than 3 mono-isotopic peaks
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Formula C22H22F6N2O4
InChI InChI=1S/C22H22F6N2O4/c1-11-29-13(15(23)18(30-11)21(24,25)22(26,27)28)9-14-16(31-10-12-7-5-4-6-8-12)17-19(32-14)34-20(2,3)33-17/h4-8,14,16-17,19H,9-10H2,1-3H3/t14-,16+,17-,19-/m1/s1
InChIKey DZWZSUYPBTWMOU-NOCIGQNYSA-N
Molecular Weight 492.418 g/mol
SMILES c1(C(C(F)(F)F)(F)F)c(c(C[C@@]2([C@@]([C@]3(OC(O[C@]3(O2)[H])(C)C)[H])(OCc2ccccc2)[H])[H])nc(n1)C)F
SPLASH splash10-0006-0090800000-1fb9ea321c93c64b1da2
Source of Spectrum K1-2004-1452-9
Synonyms 3-O-benzyl-5-deoxy-5-[5-fluoro-2-methyl-6-(1,1,2,2,2-pentafluoroethyl)-4-pyrimidinyl]-1,2-O-(1-methylethylidene)-.alpha.-D-xylofuranose
Wiley ID 1560601