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1-(.beta.-D-2-Desoxyribofuranosyl)-4-o-difluormethyl-thymine
SpectraBase Compound ID ENB9Zcx1gPV
InChI InChI=1S/C11H14F2N2O5/c1-5-3-15(8-2-6(17)7(4-16)19-8)11(18)14-9(5)20-10(12)13/h3,6-8,10,16-17H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey XUKUTZQSNHOMTC-XLPZGREQSA-N
Mol Weight 292.24 g/mol
Molecular Formula C11H14F2N2O5
Exact Mass 292.087078 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4sGCafWnbqu
Name 1-(.beta.-D-2-Desoxyribofuranosyl)-4-o-difluormethyl-thymine
Comments Computed using HOSE algorithm
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Exact Mass 292.087077880 u
Formula C11H14F2N2O5
InChI InChI=1S/C11H14F2N2O5/c1-5-3-15(8-2-6(17)7(4-16)19-8)11(18)14-9(5)20-10(12)13/h3,6-8,10,16-17H,2,4H2,1H3/t6-,7+,8+/m0/s1
InChIKey XUKUTZQSNHOMTC-XLPZGREQSA-N
Molecular Weight 292.239 g/mol
SMILES C(OC1=NC(N([C@@]2(O[C@@]([C@@](O)(C2)[H])(CO)[H])[H])C=C1C)=O)(F)F