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6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-2-methoxy-4-(perfluoroethyl)pyrimidine
SpectraBase Compound ID 5nN6QQp8sYy
InChI InChI=1S/C22H22F6N2O5/c1-20(2)34-16-15(32-10-11-7-5-4-6-8-11)13(33-18(16)35-20)9-12-14(23)17(30-19(29-12)31-3)21(24,25)22(26,27)28/h4-8,13,15-16,18H,9-10H2,1-3H3/t13-,15+,16-,18-/m1/s1
InChIKey NSNOIBPGOFYKOF-NOVWEMISSA-N
Mol Weight 508.42 g/mol
Molecular Formula C22H22F6N2O5
Exact Mass 508.143291 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E725U5P9VVD
Name 6-(3'-O-Benzyl-5'-deoxy-1',2'-O-isopropylidene-.alpha.,D-xylofuranosyl)-5-fluoro-2-methoxy-4-(perfluoroethyl)pyrimidine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22F6N2O5
InChI InChI=1S/C22H22F6N2O5/c1-20(2)34-16-15(32-10-11-7-5-4-6-8-11)13(33-18(16)35-20)9-12-14(23)17(30-19(29-12)31-3)21(24,25)22(26,27)28/h4-8,13,15-16,18H,9-10H2,1-3H3/t13-,15+,16-,18-/m1/s1
InChIKey NSNOIBPGOFYKOF-NOVWEMISSA-N
Molecular Weight 508.417 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)OC)F
SPLASH splash10-03di-0090000000-6f9cef9490190ed23f79
Source of Spectrum K1-2004-1452-9
Synonyms 3-O-benzyl-5-deoxy-5-[5-fluoro-2-methoxy-6-(1,1,2,2,2-pentafluoroethyl)-4-pyrimidinyl]-1,2-O-(1-methylethylidene)-.alpha.-D-xylofuranose
Wiley ID 1560600