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4-Amino-1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
SpectraBase Compound ID 5ZAWsV6YcLo
InChI InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)
InChIKey JFIWEPHGRUDAJN-UHFFFAOYSA-N
Mol Weight 267.24 g/mol
Molecular Formula C11H13N3O5
Exact Mass 267.085521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SeNqpyiFeC
Name 4-Amino-1-[4-ethynyl-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
Comments Computed using HOSE algorithm
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Exact Mass 267.085520526 u
Formula C11H13N3O5
InChI InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)
InChIKey JFIWEPHGRUDAJN-UHFFFAOYSA-N
SMILES [C@@]1([C@]([C@@](CO)(O[C@]1(N1C(N=C(C=C1)N)=O)[H])[H])(C#C)O)(O)[H]