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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

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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 H0Fw11mMrWa
InChI InChI=1S/C48H50N6O8/c55-47-41(33-53-45(37-19-9-3-10-20-37)43(49-51-53)35-15-5-1-6-16-35)61-31-27-57-25-29-59-39-23-13-14-24-40(39)60-30-26-58-28-32-62-42(48(47)56)34-54-46(38-21-11-4-12-22-38)44(50-52-54)36-17-7-2-8-18-36/h1-24,41-42,47-48,55-56H,25-34H2/t41-,42-,47-,48-/m1/s1
InChIKey LJILUVGWFGTGIW-SCNBRMNVSA-N
Mol Weight 839.0 g/mol
Molecular Formula C48H50N6O8
Exact Mass 838.369013 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeaJJmoli6a
Name 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 17
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C48H50N6O8
InChI InChI=1S/C48H50N6O8/c55-47-41(33-53-45(37-19-9-3-10-20-37)43(49-51-53)35-15-5-1-6-16-35)61-31-27-57-25-29-59-39-23-13-14-24-40(39)60-30-26-58-28-32-62-42(48(47)56)34-54-46(38-21-11-4-12-22-38)44(50-52-54)36-17-7-2-8-18-36/h1-24,41-42,47-48,55-56H,25-34H2/t41-,42-,47-,48-/m1/s1
InChIKey LJILUVGWFGTGIW-SCNBRMNVSA-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 838.960 g/mol
Solvent CDCl3