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(S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-METHYLBUTANOATE
SpectraBase Compound ID GvbLDTu7cdI
InChI InChI=1S/C12H16FN3O5/c1-6(2)9(11(19)21-3)14-8(17)5-16-4-7(13)10(18)15-12(16)20/h4,6,9H,5H2,1-3H3,(H,14,17)(H,15,18,20)/t9-/m0/s1
InChIKey WHGZQGGHIXGBCA-VIFPVBQESA-N
Mol Weight 301.27 g/mol
Molecular Formula C12H16FN3O5
Exact Mass 301.107399 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CjoEqrahDAm
Name (S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-METHYLBUTANOATE
Compound Number 2A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H16FN3O5
InChI InChI=1S/C12H16FN3O5/c1-6(2)9(11(19)21-3)14-8(17)5-16-4-7(13)10(18)15-12(16)20/h4,6,9H,5H2,1-3H3,(H,14,17)(H,15,18,20)/t9-/m0/s1
InChIKey WHGZQGGHIXGBCA-VIFPVBQESA-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 301.275 g/mol
Sample ID 69671
Solvent DMSO-D6