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3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-1H-pyrimidine-2,4-dione
SpectraBase Compound ID LxI4wC0Nd2E
InChI InChI=1S/C10H14N2O6/c1-4-2-6(14)12(10(17)11-4)9-8(16)7(15)5(3-13)18-9/h2,5,7-9,13,15-16H,3H2,1H3,(H,11,17)/t5-,7-,8-,9-/m1/s1
InChIKey YPBJLWHMYGWWLA-ZOQUXTDFSA-N
Mol Weight 258.23 g/mol
Molecular Formula C10H14N2O6
Exact Mass 258.085186 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ISEuEf8eMJ9
Name 3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-methyl-1H-pyrimidine-2,4-dione
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 258.085186173 u
Formula C10H14N2O6
InChI InChI=1S/C10H14N2O6/c1-4-2-6(14)12(10(17)11-4)9-8(16)7(15)5(3-13)18-9/h2,5,7-9,13,15-16H,3H2,1H3,(H,11,17)/t5-,7-,8-,9-/m1/s1
InChIKey YPBJLWHMYGWWLA-ZOQUXTDFSA-N
Molecular Weight 258.230 g/mol
SMILES [C@@]1(N2C(NC(=CC2=O)C)=O)([C@@]([C@](O)([C@](O1)(CO)[H])[H])(O)[H])[H]