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

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N-[4-O-METHYL-(BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2-(5-FLUORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-GLYCINEMETHYL-E
SpectraBase Compound ID 2iCY2pAfmxp
InChI InChI=1S/C22H23FN4O15/c1-38-18(32)15-13(29)12(28)14(30)20(42-15)41-11-4-3-8(5-10(11)27(36)37)7-40-22(35)24-16(19(33)39-2)26-6-9(23)17(31)25-21(26)34/h3-6,12-16,20,28-30H,7H2,1-2H3,(H,24,35)(H,25,31,34)/t12-,13-,14+,15-,16?,20+/m1/s1
InChIKey KEBIVKBNPVAHMA-VPVHLQMZSA-N
Mol Weight 602.44 g/mol
Molecular Formula C22H23FN4O15
Exact Mass 602.114394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6lmfnRxPt1V
Name N-[4-O-METHYL-(BETA-D-GLUCOPYRANOSYL)-URONATE]-3-NITROBENZYLOXYCARBONYL]-2-(5-FLUORO-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-1-YL)-GLYCINEMETHYL-E
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H23FN4O15
InChI InChI=1S/C22H23FN4O15/c1-38-18(32)15-13(29)12(28)14(30)20(42-15)41-11-4-3-8(5-10(11)27(36)37)7-40-22(35)24-16(19(33)39-2)26-6-9(23)17(31)25-21(26)34/h3-6,12-16,20,28-30H,7H2,1-2H3,(H,24,35)(H,25,31,34)/t12-,13-,14+,15-,16?,20+/m1/s1
InChIKey KEBIVKBNPVAHMA-VPVHLQMZSA-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 602.441 g/mol
Solvent CD3OD
Source File Reference UWRU5674