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5-FLUORO-N-[4-O-[METHYL-(BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-1-YL-METHYLAMINE

View entire compound with spectra: 1 NMR

5-FLUORO-N-[4-O-[METHYL-(BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-1-YL-METHYLAMINE
SpectraBase Compound ID KozmtVtKAfA
InChI InChI=1S/C20H21FN4O13/c1-35-17(30)15-13(27)12(26)14(28)18(38-15)37-11-3-2-8(4-10(11)25(33)34)6-36-20(32)22-7-24-5-9(21)16(29)23-19(24)31/h2-5,12-15,18,26-28H,6-7H2,1H3,(H,22,32)(H,23,29,31)/t12-,13-,14+,15-,18+/m1/s1
InChIKey OGPQWCPCDTXTNM-NSIVTLKISA-N
Mol Weight 544.4 g/mol
Molecular Formula C20H21FN4O13
Exact Mass 544.108915 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAgNdiZOycj
Name 5-FLUORO-N-[4-O-[METHYL-(BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-1-YL-METHYLAMINE
Compound Number 10
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C20H21FN4O13
InChI InChI=1S/C20H21FN4O13/c1-35-17(30)15-13(27)12(26)14(28)18(38-15)37-11-3-2-8(4-10(11)25(33)34)6-36-20(32)22-7-24-5-9(21)16(29)23-19(24)31/h2-5,12-15,18,26-28H,6-7H2,1H3,(H,22,32)(H,23,29,31)/t12-,13-,14+,15-,18+/m1/s1
InChIKey OGPQWCPCDTXTNM-NSIVTLKISA-N
Literature Reference Author R.MADEC-LOUGERSTAY,J.C.FLORENT,C.MONNERET
Literature Reference Citation J.CHEM.SOC.PERKIN-1,1369(1999)
Literature Reference DOI 10.1039/a808915i
Molecular Weight 544.404 g/mol
Solvent CD3OD
Source File Reference UWRU5671