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Adenosine, 2'-deoxy-5'-o-[(1,1-dimethylethyl)dimethylsilyl]-N-(trifluoroacetyl)- , 3'-(trifluoroacetate)
SpectraBase Compound ID 3DjB8KexU2
InChI InChI=1S/C20H25F6N5O5Si/c1-18(2,3)37(4,5)34-7-11-10(36-17(33)20(24,25)26)6-12(35-11)31-9-29-13-14(27-8-28-15(13)31)30-16(32)19(21,22)23/h8-12H,6-7H2,1-5H3,(H,27,28,30,32)/t10-,11+,12+/m0/s1
InChIKey FMVUMWRLGAXMTM-QJPTWQEYSA-N
Mol Weight 557.53 g/mol
Molecular Formula C20H25F6N5O5Si
Exact Mass 557.152914 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OaIT48xxFc
Name Adenosine, 2'-deoxy-5'-o-[(1,1-dimethylethyl)dimethylsilyl]-N-(trifluoroacetyl)- , 3'-(trifluoroacetate)
Comments Computed using HOSE algorithm
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Exact Mass 557.152914433 u
Formula C20H25F6N5O5Si
InChI InChI=1S/C20H25F6N5O5Si/c1-18(2,3)37(4,5)34-7-11-10(36-17(33)20(24,25)26)6-12(35-11)31-9-29-13-14(27-8-28-15(13)31)30-16(32)19(21,22)23/h8-12H,6-7H2,1-5H3,(H,27,28,30,32)/t10-,11+,12+/m0/s1
InChIKey FMVUMWRLGAXMTM-QJPTWQEYSA-N
Molecular Weight 557.525 g/mol
SMILES C1=2N(C=NC2C(NC(C(F)(F)F)=O)=NC=N1)[C@@]1(O[C@](CO[Si](C(C)(C)C)(C)C)([C@](C1)(OC(C(F)(F)F)=O)[H])[H])[H]