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[2,3-BIS-(1-(6-DEOXY-2,3,4-TRI-O-METHOXYETHOXYMETHYL-1-O-METHYL-BETA-D-GLUCOPYRANOSE-6-YL)-1H-1,2,3-TRIAZOLE-4-YL)-PHTHALOCYANATO]-ZINC(II)
SpectraBase Compound ID 7yPu4EBXUKt
InChI InChI=1S/C74H90N14O22.Zn/c1-89-21-27-97-39-103-59-57(109-73(95-7)63(107-43-101-31-25-93-5)61(59)105-41-99-29-23-91-3)37-87-35-55(83-85-87)51-33-53-54(34-52(51)56-36-88(86-84-56)38-58-60(104-40-98-28-22-90-2)62(106-42-100-30-24-92-4)64(74(96-8)110-58)108-44-102-32-26-94-6)72-81-70-50-20-14-12-18-48(50)68(79-70)77-66-46-16-10-9-15-45(46)65(75-66)76-67-47-17-11-13-19-49(47)69(78-67)80-71(53)82-72;/h9-20,33-36,57-64,73-74H,21-32,37-44H2,1-8H3;/q-2;+2/t57-,58-,59-,60-,61+,62+,63-,64-,73-,74-;/m1./s1
InChIKey LMHLKLUSXLXSOG-LZHHTBNRSA-N
Mol Weight 1593.0 g/mol
Molecular Formula C74H90N14O22Zn
Exact Mass 1590.564553 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4vJLFmkNnJE
Name [2,3-BIS-(1-(6-DEOXY-2,3,4-TRI-O-METHOXYETHOXYMETHYL-1-O-METHYL-BETA-D-GLUCOPYRANOSE-6-YL)-1H-1,2,3-TRIAZOLE-4-YL)-PHTHALOCYANATO]-ZINC(II)
Compound Number 8A
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C74H90N14O22Zn
InChI InChI=1S/C74H90N14O22.Zn/c1-89-21-27-97-39-103-59-57(109-73(95-7)63(107-43-101-31-25-93-5)61(59)105-41-99-29-23-91-3)37-87-35-55(83-85-87)51-33-53-54(34-52(51)56-36-88(86-84-56)38-58-60(104-40-98-28-22-90-2)62(106-42-100-30-24-92-4)64(74(96-8)110-58)108-44-102-32-26-94-6)72-81-70-50-20-14-12-18-48(50)68(79-70)77-66-46-16-10-9-15-45(46)65(75-66)76-67-47-17-11-13-19-49(47)69(78-67)80-71(53)82-72;/h9-20,33-36,57-64,73-74H,21-32,37-44H2,1-8H3;/q-2;+2/t57-,58-,59-,60-,61+,62+,63-,64-,73-,74-;/m1./s1
InChIKey LMHLKLUSXLXSOG-LZHHTBNRSA-N
Literature Reference Author F.BAECHLE,M.HANACK,T.ZIEGLER
Literature Reference Citation MOLECULES,20,18367(2015)
Literature Reference DOI 10.3390/molecules201018367
Molecular Weight 1592.989 g/mol
Solvent DMF-D7
Source File Reference UWPA5214