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N(1)-[(5''-ACETOXYETHOXY)-METHYL]-N(9)-[(5'-HYDROXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
SpectraBase Compound ID Luu9pGvM9Zc
InChI InChI=1S/C14H17F3N4O6/c1-9(23)27-5-4-26-7-20-6-18-11-10(12(20)24)19-13(14(15,16)17)21(11)8-25-3-2-22/h6,22H,2-5,7-8H2,1H3
InChIKey YBKUCYHHYZBXGO-UHFFFAOYSA-N
Mol Weight 394.31 g/mol
Molecular Formula C14H17F3N4O6
Exact Mass 394.110019 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 282qqGTLSlU
Name N(1)-[(5''-ACETOXYETHOXY)-METHYL]-N(9)-[(5'-HYDROXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C14H17F3N4O6
InChI InChI=1S/C14H17F3N4O6/c1-9(23)27-5-4-26-7-20-6-18-11-10(12(20)24)19-13(14(15,16)17)21(11)8-25-3-2-22/h6,22H,2-5,7-8H2,1H3
InChIKey YBKUCYHHYZBXGO-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
Molecular Weight 394.307 g/mol
Sample ID 72701
Solvent CDCl3