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O-(ADENOSINE-5'-O-YL)-N-(D-ASPARAGINYL)-PHOSPHORAMIDATE-TRIFLUOROACETATE
SpectraBase Compound ID 6gdtKhN9fCc
InChI InChI=1S/C14H20N7O9P.C2HF3O2/c15-5(14(25)26)1-7(22)20-31(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21;3-2(4,5)1(6)7/h3-6,9-10,13,23-24H,1-2,15H2,(H,25,26)(H2,16,17,18)(H2,20,22,27,28);(H,6,7)/p-2/t5-,6-,9-,10-,13-;/m1./s1
InChIKey UKILQEGKLWFBCN-INAIHQNFSA-L
Mol Weight 573.33 g/mol
Molecular Formula C16H19F3N7O11P
Exact Mass 573.083226 g/mol

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

19F Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7rmuKfceFXF
Name O-(ADENOSINE-5'-O-YL)-N-(D-ASPARAGINYL)-PHOSPHORAMIDATE-TRIFLUOROACETATE
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H19F3N7O11P
InChI InChI=1S/C14H20N7O9P.C2HF3O2/c15-5(14(25)26)1-7(22)20-31(27,28)29-2-6-9(23)10(24)13(30-6)21-4-19-8-11(16)17-3-18-12(8)21;3-2(4,5)1(6)7/h3-6,9-10,13,23-24H,1-2,15H2,(H,25,26)(H2,16,17,18)(H2,20,22,27,28);(H,6,7)/p-2/t5-,6-,9-,10-,13-;/m1./s1
InChIKey UKILQEGKLWFBCN-INAIHQNFSA-L
Literature Reference Author Y.DING,J.WANG,S.M.SCHUSTER,N.G.J.RICHARDS
Literature Reference Citation J.ORG.CHEM.,67,4372(2002)
Literature Reference DOI 10.1021/jo025510l
Solvent D2O
Source File Reference UWVN23207