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1-(2,3,5-tri-o-Acetyl-.beta.-D-arabinofuranosyl)-5-(2-E-bromovinyl)uracil
SpectraBase Compound ID 2rSvGmfYgZu
InChI InChI=1S/C17H19BrN2O9/c1-8(21)26-7-12-13(27-9(2)22)14(28-10(3)23)16(29-12)20-6-11(4-5-18)15(24)19-17(20)25/h4-6,12-14,16H,7H2,1-3H3,(H,19,24,25)/b5-4+/t12-,13-,14+,16-/m1/s1
InChIKey GKBFOVUXXLDBJH-XVGJUINASA-N
Mol Weight 475.25 g/mol
Molecular Formula C17H19BrN2O9
Exact Mass 474.027393 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DTi093ngenj
Name 1-(2,3,5-tri-o-Acetyl-.beta.-D-arabinofuranosyl)-5-(2-E-bromovinyl)uracil
Comments Computed using HOSE algorithm
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Exact Mass 474.027393191 u
Formula C17H19BrN2O9
InChI InChI=1S/C17H19BrN2O9/c1-8(21)26-7-12-13(27-9(2)22)14(28-10(3)23)16(29-12)20-6-11(4-5-18)15(24)19-17(20)25/h4-6,12-14,16H,7H2,1-3H3,(H,19,24,25)/b5-4+/t12-,13-,14+,16-/m1/s1
InChIKey GKBFOVUXXLDBJH-XVGJUINASA-N
Molecular Weight 475.248 g/mol
SMILES C1(=O)NC(N([C@@]2(O[C@@]([C@@](OC(C)=O)([C@@]2(OC(C)=O)[H])[H])(COC(C)=O)[H])[H])C=C1\C=C\Br)=O