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1-Uracil-5-ribofuranosyl 2-Chloroethanoate
SpectraBase Compound ID 2OgHDkWi0MG
InChI InChI=1S/C11H13ClN2O7/c12-3-7(16)20-4-5-8(17)9(18)10(21-5)14-2-1-6(15)13-11(14)19/h1-2,5,8-10,17-18H,3-4H2,(H,13,15,19)/t5-,8-,9-,10+/m1/s1
InChIKey ZODPSXUHOHLIOC-KBHCAIDQSA-N
Mol Weight 320.69 g/mol
Molecular Formula C11H13ClN2O7
Exact Mass 320.041128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NbZprTQcS
Name 1-Uracil-5-ribofuranosyl 2-Chloroethanoate
Alternate Name(s) [(2R,3S,4R,5S)-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl 2-chloroacetate
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Formula C11H13ClN2O7
InChI InChI=1S/C11H13ClN2O7/c12-3-7(16)20-4-5-8(17)9(18)10(21-5)14-2-1-6(15)13-11(14)19/h1-2,5,8-10,17-18H,3-4H2,(H,13,15,19)/t5-,8-,9-,10+/m1/s1
InChIKey ZODPSXUHOHLIOC-KBHCAIDQSA-N
Molecular Weight 320.685 g/mol
SMILES O[C@@]1([C@](O[C@@]([C@@]1(O)[H])(N1C(NC(C=C1)=O)=O)[H])(COC(=O)CCl)[H])[H]
SPLASH splash10-004j-9000000000-9491c435d4e71379e41d
Source of Spectrum J-58-660-7
Wiley ID 1319651