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3,4-DI-O-ACETYL-2,5-O-[BENZENE-1,2-DIYL-BIS-(OXYETHYLENEOXYETHYL)]-1,6-DIDEOXY-1,6-BIS-(4,5-DIPHENYL-1,2,3-TRIAZOL-1-YL)-D-MANNITOL
SpectraBase Compound ID 6kaUxv8zyFx
InChI InChI=1S/C52H54N6O10/c1-37(59)67-51-45(35-57-49(41-21-11-5-12-22-41)47(53-55-57)39-17-7-3-8-18-39)65-33-29-61-27-31-63-43-25-15-16-26-44(43)64-32-28-62-30-34-66-46(52(51)68-38(2)60)36-58-50(42-23-13-6-14-24-42)48(54-56-58)40-19-9-4-10-20-40/h3-26,45-46,51-52H,27-36H2,1-2H3/t45-,46-,51-,52-/m1/s1
InChIKey OIPGNQWJSCFANL-NNVOFVPTSA-N
Mol Weight 923.0 g/mol
Molecular Formula C52H54N6O10
Exact Mass 922.390142 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JBy0k7Mc8g3
Name 3,4-DI-O-ACETYL-2,5-O-[BENZENE-1,2-DIYL-BIS-(OXYETHYLENEOXYETHYL)]-1,6-DIDEOXY-1,6-BIS-(4,5-DIPHENYL-1,2,3-TRIAZOL-1-YL)-D-MANNITOL
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C52H54N6O10
InChI InChI=1S/C52H54N6O10/c1-37(59)67-51-45(35-57-49(41-21-11-5-12-22-41)47(53-55-57)39-17-7-3-8-18-39)65-33-29-61-27-31-63-43-25-15-16-26-44(43)64-32-28-62-30-34-66-46(52(51)68-38(2)60)36-58-50(42-23-13-6-14-24-42)48(54-56-58)40-19-9-4-10-20-40/h3-26,45-46,51-52H,27-36H2,1-2H3/t45-,46-,51-,52-/m1/s1
InChIKey OIPGNQWJSCFANL-NNVOFVPTSA-N
Literature Reference Author M.NAZHAOUI,J.P.JOLY,S.KITANE,M.BERRADA
Literature Reference Citation J.CHEM.SOC.PERKIN-1,3845(1998)
Literature Reference DOI 10.1039/a804873h
Molecular Weight 923.035 g/mol
Solvent CDCl3