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3',5'-Di-O-acetyl-5-[2-(pentafluorophenyl)lyl)ethynyl]-2'-deoxyuridine
SpectraBase Compound ID 6TQNu1r0mFJ
InChI InChI=1S/C21H15F5N2O7/c1-8(29)33-7-13-12(34-9(2)30)5-14(35-13)28-6-10(20(31)27-21(28)32)3-4-11-15(22)17(24)19(26)18(25)16(11)23/h6,12-14H,5,7H2,1-2H3,(H,27,31,32)/t12-,13+,14+/m0/s1
InChIKey VXMLVMOEIRBIMM-BFHYXJOUSA-N
Mol Weight 502.35 g/mol
Molecular Formula C21H15F5N2O7
Exact Mass 502.079942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZOhrgZdrFB
Name 3',5'-Di-O-acetyl-5-[2-(pentafluorophenyl)lyl)ethynyl]-2'-deoxyuridine
Alternate Name(s) [(2R,3S,5R)-3-(acetyloxy)-5-{2,4-dioxo-5-[2-(2,3,4,5,6-pentafluorophenyl)ethynyl]-1,2,3,4-tetrahydropyrimidin-1-yl}oxolan-2-yl]methyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15F5N2O7
InChI InChI=1S/C21H15F5N2O7/c1-8(29)33-7-13-12(34-9(2)30)5-14(35-13)28-6-10(20(31)27-21(28)32)3-4-11-15(22)17(24)19(26)18(25)16(11)23/h6,12-14H,5,7H2,1-2H3,(H,27,31,32)/t12-,13+,14+/m0/s1
InChIKey VXMLVMOEIRBIMM-BFHYXJOUSA-N
Molecular Weight 502.350 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(O[C@](COC(=O)C)([C@](C1)(OC(=O)C)[H])[H])[H])C#Cc1c(c(F)c(c(c1F)F)F)F)=O
SPLASH splash10-0udi-0009240000-ad8099209a0990c4a925
Source of Spectrum J-58-6617-4
Wiley ID 1399132