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1-(2-Deoxy-3-C-ethynyl-B-D-threo-pentofuranosyl)-thymine
SpectraBase Compound ID 4bEFaHzY3rG
InChI InChI=1S/C12H14N2O5/c1-3-12(18)4-9(19-8(12)6-15)14-5-7(2)10(16)13-11(14)17/h1,5,8-9,15,18H,4,6H2,2H3,(H,13,16,17)
InChIKey JJGINXNKMFOHCG-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C12H14N2O5
Exact Mass 266.090272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KQ9TL0qFoBT
Name 1-(2-Deoxy-3-C-ethynyl-B-D-threo-pentofuranosyl)-thymine
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Formula C12H14N2O5
InChI InChI=1S/C12H14N2O5/c1-3-12(18)4-9(19-8(12)6-15)14-5-7(2)10(16)13-11(14)17/h1,5,8-9,15,18H,4,6H2,2H3,(H,13,16,17)
InChIKey JJGINXNKMFOHCG-UHFFFAOYSA-N
Instrument Name Varian XL-300
Literature Reference S. Huss, F.G. De Las Heras, M.J. Camarasa, Tetrahedron 47, 1727 (1991).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6