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1-(3,4,6-Tri-O-acetyl-2-deoxy-b-d-arabino-hexopyranosyl)-5-fluoro-uracile
SpectraBase Compound ID 8HFopHi5LYv
InChI InChI=1S/C16H19FN2O9/c1-7(20)25-6-12-14(27-9(3)22)11(26-8(2)21)4-13(28-12)19-5-10(17)15(23)18-16(19)24/h5,11-14H,4,6H2,1-3H3,(H,18,23,24)/t11-,12+,13-,14+/m1/s1
InChIKey HLJJVEZNCDKPEV-RQJABVFESA-N
Mol Weight 402.33 g/mol
Molecular Formula C16H19FN2O9
Exact Mass 402.107458 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4HBHkGFNYDd
Name 1-(3,4,6-tri-o-Acetyl-2-deoxy-B-D-arabino-hexopyranosyl)-5-fluoro-uracile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 402.107458354 u
Formula C16H19FN2O9
InChI InChI=1S/C16H19FN2O9/c1-7(20)25-6-12-14(27-9(3)22)11(26-8(2)21)4-13(28-12)19-5-10(17)15(23)18-16(19)24/h5,11-14H,4,6H2,1-3H3,(H,18,23,24)/t11-,12+,13-,14+/m1/s1
InChIKey HLJJVEZNCDKPEV-RQJABVFESA-N
Molecular Weight 402.331 g/mol
SMILES N1C(C(=CN(C1=O)[C@@]1(O[C@]([C@]([C@@](C1)(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)[H])[H])F)=O