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N(1)-[(5''-O-PHOSPHORYLETHOXY)-METHYL]-N(9)-[(5'-O-PHOSPHORYLETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE-CYCLIC-PYROPHOSPHATE

View entire compound with spectra: 2 NMR

N(1)-[(5''-O-PHOSPHORYLETHOXY)-METHYL]-N(9)-[(5'-O-PHOSPHORYLETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE-CYCLIC-PYROPHOSPHATE
SpectraBase Compound ID 9ED7WTkb8dc
InChI InChI=1S/C12H15F3N4O10P2/c13-12(14,15)11-17-8-9-16-5-18(10(8)20)6-25-1-3-27-30(21,22)29-31(23,24)28-4-2-26-7-19(9)11/h5H,1-4,6-7H2,(H,21,22)(H,23,24)
InChIKey AZYSLARQIWQLFI-UHFFFAOYSA-N
Mol Weight 494.21 g/mol
Molecular Formula C12H15F3N4O10P2
Exact Mass 494.021551 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ja0V2bjDKff
Name N(1)-[(5''-O-PHOSPHORYLETHOXY)-METHYL]-N(9)-[(5'-O-PHOSPHORYLETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE-CYCLIC-PYROPHOSPHATE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H13F3N4O10P2
InChI InChI=1S/C12H15F3N4O10P2/c13-12(14,15)11-17-8-9-16-5-18(10(8)20)6-25-1-3-27-30(21,22)29-31(23,24)28-4-2-26-7-19(9)11/h5H,1-4,6-7H2,(H,21,22)(H,23,24)
InChIKey AZYSLARQIWQLFI-UHFFFAOYSA-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
Solvent D2O
Source File Reference UWLU72707