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N(1)-[(5''-ACETOXYETHOXY)-METHYL]-N(9)-[(5'-BIS-(PHENYLTHIO)-PHOSPHORYLOXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
SpectraBase Compound ID Ljl5nRtL1kI
InChI InChI=1S/C26H26F3N4O7PS2/c1-19(34)39-14-12-37-17-32-16-30-23-22(24(32)35)31-25(26(27,28)29)33(23)18-38-13-15-40-41(36,42-20-8-4-2-5-9-20)43-21-10-6-3-7-11-21/h2-11,16H,12-15,17-18H2,1H3
InChIKey PGTURGFNCIAXIR-UHFFFAOYSA-N
Mol Weight 658.6 g/mol
Molecular Formula C26H26F3N4O7PS2
Exact Mass 658.093263 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3gVQIfPWd2Z
Name N(1)-[(5''-ACETOXYETHOXY)-METHYL]-N(9)-[(5'-BIS-(PHENYLTHIO)-PHOSPHORYLOXYETHOXY)-METHYL]-8-TRIFLUOROMETHYL-HYPOXANTHINE
Compound Number 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C26H26F3N4O7PS2
InChI InChI=1S/C26H26F3N4O7PS2/c1-19(34)39-14-12-37-17-32-16-30-23-22(24(32)35)31-25(26(27,28)29)33(23)18-38-13-15-40-41(36,42-20-8-4-2-5-9-20)43-21-10-6-3-7-11-21/h2-11,16H,12-15,17-18H2,1H3
InChIKey PGTURGFNCIAXIR-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 658.604 g/mol
Sample ID 72702
Solvent CDCl3