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Diethyl 4-(Adenin-9-yl)-1,1-difluorobutan-phosphonate
SpectraBase Compound ID 2Gl6KKRaBYO
InChI InChI=1S/C13H20F2N5O3P/c1-3-22-24(21,23-4-2)13(14,15)6-5-7-20-9-19-10-11(16)17-8-18-12(10)20/h8-9H,3-7H2,1-2H3,(H2,16,17,18)
InChIKey UKKHVKFHTFHNKF-UHFFFAOYSA-N
Mol Weight 363.31 g/mol
Molecular Formula C13H20F2N5O3P
Exact Mass 363.127183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G4bSytWNIwB
Name Diethyl 4-(Adenin-9-yl)-1,1-difluorobutan-phosphonate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20F2N5O3P
InChI InChI=1S/C13H20F2N5O3P/c1-3-22-24(21,23-4-2)13(14,15)6-5-7-20-9-19-10-11(16)17-8-18-12(10)20/h8-9H,3-7H2,1-2H3,(H2,16,17,18)
InChIKey UKKHVKFHTFHNKF-UHFFFAOYSA-N
Molecular Weight 363.306 g/mol
SMILES Nc1ncnc2c1nc[n]2CCCC(P(OCC)(OCC)=O)(F)F
SPLASH splash10-01t9-0951000000-7e87743910a0f7fbb27a
Source of Spectrum F-53-5395-10
Synonyms Diethyl 4-(6-amino-9H-purin-9-yl)-1,1-difluorobutylphosphonate
Wiley ID 801684