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(2S,3S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-METHYLPENTANOATE
SpectraBase Compound ID LJkKhVYfgEG
InChI InChI=1S/C13H18FN3O5/c1-4-7(2)10(12(20)22-3)15-9(18)6-17-5-8(14)11(19)16-13(17)21/h5,7,10H,4,6H2,1-3H3,(H,15,18)(H,16,19,21)/t7-,10-/m0/s1
InChIKey XSRWQIBNXBQKDK-XVKPBYJWSA-N
Mol Weight 315.3 g/mol
Molecular Formula C13H18FN3O5
Exact Mass 315.123049 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1HO7eH06PwI
Name (2S,3S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-METHYLPENTANOATE
Compound Number 2N
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C13H18FN3O5
InChI InChI=1S/C13H18FN3O5/c1-4-7(2)10(12(20)22-3)15-9(18)6-17-5-8(14)11(19)16-13(17)21/h5,7,10H,4,6H2,1-3H3,(H,15,18)(H,16,19,21)/t7-,10-/m0/s1
InChIKey XSRWQIBNXBQKDK-XVKPBYJWSA-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 315.301 g/mol
Sample ID 69687
Solvent DMSO-D6