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N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-8-TRIFLUOROMETHYL-INOSINE
SpectraBase Compound ID 2icE3HjOOXk
InChI InChI=1S/C14H19F3N4O13P2/c15-14(16,17)13-19-7-10(18-4-20(11(7)24)5-31-1-2-32-35(25,26)27)21(13)12-9(23)8(22)6(34-12)3-33-36(28,29)30/h4,6,8-9,12,22-23H,1-3,5H2,(H2,25,26,27)(H2,28,29,30)/t6-,8-,9-,12-/m0/s1
InChIKey DCLSUZSWOKFTHX-GTBBIVDNSA-N
Mol Weight 570.26 g/mol
Molecular Formula C14H19F3N4O13P2
Exact Mass 570.037595 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K9H0rnSJP55
Name N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-5'-O-PHOSPHORYL-8-TRIFLUOROMETHYL-INOSINE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H15F3N4O13P2
InChI InChI=1S/C14H19F3N4O13P2/c15-14(16,17)13-19-7-10(18-4-20(11(7)24)5-31-1-2-32-35(25,26)27)21(13)12-9(23)8(22)6(34-12)3-33-36(28,29)30/h4,6,8-9,12,22-23H,1-3,5H2,(H2,25,26,27)(H2,28,29,30)/t6-,8-,9-,12-/m0/s1
InChIKey DCLSUZSWOKFTHX-GTBBIVDNSA-N
Literature Reference Author X.HUANG,M.DONG,J.LIU,K.ZHANG,Z.YANG,L.ZHANG,L.ZHANG
Literature Reference Citation MOLECULES,15,8689(2010)
Literature Reference DOI 10.3390/molecules15128689
Molecular Weight 566.235 g/mol
Sample ID 72706
Solvent D2O