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1-(2'-O-Acetyl-3'-deoxy-3'-ethynyl-.beta.-D-arabinofuranosyl)pyrimidine-2,4(!H,3H)-dione
SpectraBase Compound ID D1GUkikPWw1
InChI InChI=1S/C13H14N2O6/c1-3-8-9(6-16)21-12(11(8)20-7(2)17)15-5-4-10(18)14-13(15)19/h1,4-5,8-9,11-12,16H,6H2,2H3,(H,14,18,19)/t8-,9-,11+,12-/m1/s1
InChIKey OXVBYRAPMMRCBT-PKZYVASSSA-N
Mol Weight 294.26 g/mol
Molecular Formula C13H14N2O6
Exact Mass 294.085186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AELpmPRl4DX
Name 1-(2'-O-Acetyl-3'-deoxy-3'-ethynyl-.beta.-D-arabinofuranosyl)pyrimidine-2,4(!H,3H)-dione
Alternate Name(s) (2R,3S,4R,5S)-2-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-ethynyl-5-(hydroxymethyl)oxolan-3-yl acetate 1-(2'-O-acetyl-3'-deoxy-3'-ethynyl-.beta.-D-arabinofuranosyl)pyrimidine-2,4(H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O6
InChI InChI=1S/C13H14N2O6/c1-3-8-9(6-16)21-12(11(8)20-7(2)17)15-5-4-10(18)14-13(15)19/h1,4-5,8-9,11-12,16H,6H2,2H3,(H,14,18,19)/t8-,9-,11+,12-/m1/s1
InChIKey OXVBYRAPMMRCBT-PKZYVASSSA-N
Molecular Weight 294.263 g/mol
SMILES OC[C@@]1([C@]([C@@]([C@](N2C(NC(C=C2)=O)=O)(O1)[H])(OC(=O)C)[H])(C#C)[H])[H]
SPLASH splash10-001i-1900000000-5a279378618679463df2
Source of Spectrum H-78-1884-7
Wiley ID 1296817