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acetic acid [(2R,3R,4S,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-4-acetoxy-2-(acetoxymethyl)tetrahydrofuran-3-yl] ester
SpectraBase Compound ID 3auy6Dml3Ji
InChI InChI=1S/C17H21N3O9/c1-8(21)18-13-5-6-20(17(25)19-13)16-15(28-11(4)24)14(27-10(3)23)12(29-16)7-26-9(2)22/h5-6,12,14-16H,7H2,1-4H3,(H,18,19,21,25)/t12-,14-,15+,16-/m1/s1
InChIKey SABGQSSAGOWXJK-DMRZNYOFSA-N
Mol Weight 411.37 g/mol
Molecular Formula C17H21N3O9
Exact Mass 411.127779 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F5bkfEn0JdK
Name acetic acid [(2R,3R,4S,5R)-5-(4-acetamido-2-keto-pyrimidin-1-yl)-4-acetoxy-2-(acetoxymethyl)tetrahydrofuran-3-yl] ester
Compound Number AR5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H21N3O9
InChI InChI=1S/C17H21N3O9/c1-8(21)18-13-5-6-20(17(25)19-13)16-15(28-11(4)24)14(27-10(3)23)12(29-16)7-26-9(2)22/h5-6,12,14-16H,7H2,1-4H3,(H,18,19,21,25)/t12-,14-,15+,16-/m1/s1
InChIKey SABGQSSAGOWXJK-DMRZNYOFSA-N
Literature Reference Author D.M.WHITFIELD,S.P.DOUGLAS,T.H.TANG,I.G.CSIZMADIA,H.Y.S.PANG, F.L.MOOLTEN,J.J.KREP
Literature Reference Citation CAN.J.CHEM.,72,2225(1994)
Literature Reference DOI 10.1139/v94-284
Molecular Weight 411.368 g/mol
Solvent CDCl3
Source File Reference UWSK206