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N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-N(9)-[[(5'-(PHENYLTHIO)-PHOSPHORYLOXYETHOXY]-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE

View entire compound with spectra: 3 NMR

N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-N(9)-[[(5'-(PHENYLTHIO)-PHOSPHORYLOXYETHOXY]-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
SpectraBase Compound ID C5uZa3MWWy2
InChI InChI=1S/C18H21F3N4O10P2S/c19-18(20,21)17-23-14-15(22-10-24(16(14)26)11-32-6-8-34-36(27,28)29)25(17)12-33-7-9-35-37(30,31)38-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,30,31)(H2,27,28,29)
InChIKey DAHIGULVYWVXIO-UHFFFAOYSA-N
Mol Weight 604.39 g/mol
Molecular Formula C18H21F3N4O10P2S
Exact Mass 604.040573 g/mol

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

31P Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9aVdW0R13jp
Name N(1)-[(5''-PHOSPHONOXYETHOXY)-METHYL]-N(9)-[[(5'-(PHENYLTHIO)-PHOSPHORYLOXYETHOXY]-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
Compound Number 19
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H18F3N4O10P2S
InChI InChI=1S/C18H21F3N4O10P2S/c19-18(20,21)17-23-14-15(22-10-24(16(14)26)11-32-6-8-34-36(27,28)29)25(17)12-33-7-9-35-37(30,31)38-13-4-2-1-3-5-13/h1-5,10H,6-9,11-12H2,(H,30,31)(H2,27,28,29)
InChIKey DAHIGULVYWVXIO-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 UWLU72703