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(S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-(4-HYDROXYPHENYL)-PROPANOATE
SpectraBase Compound ID KAcQoTblpxg
InChI InChI=1S/C16H16FN3O6/c1-26-15(24)12(6-9-2-4-10(21)5-3-9)18-13(22)8-20-7-11(17)14(23)19-16(20)25/h2-5,7,12,21H,6,8H2,1H3,(H,18,22)(H,19,23,25)/t12-/m0/s1
InChIKey BRCGCQQVMIOBQB-LBPRGKRZSA-N
Mol Weight 365.32 g/mol
Molecular Formula C16H16FN3O6
Exact Mass 365.102313 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CqCDUdy44YV
Name (S)-METHYL-2-[2-(5-FLUORO-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-ACETAMIDO]-3-(4-HYDROXYPHENYL)-PROPANOATE
Compound Number 2L
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C16H16FN3O6
InChI InChI=1S/C16H16FN3O6/c1-26-15(24)12(6-9-2-4-10(21)5-3-9)18-13(22)8-20-7-11(17)14(23)19-16(20)25/h2-5,7,12,21H,6,8H2,1H3,(H,18,22)(H,19,23,25)/t12-/m0/s1
InChIKey BRCGCQQVMIOBQB-LBPRGKRZSA-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 365.318 g/mol
Sample ID 69685
Solvent DMSO-D6