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(2S,3S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-HYDROXYBUTANOATE
SpectraBase Compound ID JChIS7QnSYy
InChI InChI=1S/C11H14FN3O6/c1-5(16)8(10(19)21-2)13-7(17)4-15-3-6(12)9(18)14-11(15)20/h3,5,8,16H,4H2,1-2H3,(H,13,17)(H,14,18,20)/t5-,8+/m1/s1
InChIKey HTWAEQFTDZKYNP-XRGYYRRGSA-N
Mol Weight 303.25 g/mol
Molecular Formula C11H14FN3O6
Exact Mass 303.086663 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KgH74BYkA1N
Name (2S,3S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-HYDROXYBUTANOATE
Compound Number 2O
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H14FN3O6
InChI InChI=1S/C11H14FN3O6/c1-5(16)8(10(19)21-2)13-7(17)4-15-3-6(12)9(18)14-11(15)20/h3,5,8,16H,4H2,1-2H3,(H,13,17)(H,14,18,20)/t5-,8+/m1/s1
InChIKey HTWAEQFTDZKYNP-XRGYYRRGSA-N
Literature Reference Author J.XIONG,H.F.ZHU,Y.J.ZHAO,Y.J.LAN,J.W.JIANG,J.J.YANG,S.F.ZHAN G
Literature Reference Citation MOLECULES,14,3142(2009)
Literature Reference DOI 10.3390/molecules14093142
Molecular Weight 303.247 g/mol
Sample ID 69688
Solvent DMSO-D6