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4-(4'-N,N-DIDODECYLAMINOPHENYLAZO)-PHENYL-2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE
SpectraBase Compound ID 3Fao3oXnor
InChI InChI=1S/C50H77N3O10/c1-7-9-11-13-15-17-19-21-23-25-35-53(36-26-24-22-20-18-16-14-12-10-8-2)44-31-27-42(28-32-44)51-52-43-29-33-45(34-30-43)62-50-49(61-41(6)57)48(60-40(5)56)47(59-39(4)55)46(63-50)37-58-38(3)54/h27-34,46-50H,7-26,35-37H2,1-6H3/b52-51+/t46-,47-,48+,49+,50+/m1/s1
InChIKey QMTRYUGANVSNEL-RAPLDKBXSA-N
Mol Weight 880.2 g/mol
Molecular Formula C50H77N3O10
Exact Mass 879.560896 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JahrBer4kgv
Name 4-(4'-N,N-DIDODECYLAMINOPHENYLAZO)-PHENYL-2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSIDE
Compound Number 4E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C50H77N3O10
InChI InChI=1S/C50H77N3O10/c1-7-9-11-13-15-17-19-21-23-25-35-53(36-26-24-22-20-18-16-14-12-10-8-2)44-31-27-42(28-32-44)51-52-43-29-33-45(34-30-43)62-50-49(61-41(6)57)48(60-40(5)56)47(59-39(4)55)46(63-50)37-58-38(3)54/h27-34,46-50H,7-26,35-37H2,1-6H3/b52-51+/t46-,47-,48+,49+,50+/m1/s1
InChIKey QMTRYUGANVSNEL-RAPLDKBXSA-N
Literature Reference Author N.LAURENT,D.LAFONT,F.DUMOULIN,P.BOULLANGER,G.MACKENZIE,P.H.J .KOUWER,J.W.GOODBY
Literature Reference Citation J.AM.CHEM.SOC.,125,15499(2003)
Literature Reference DOI 10.1021/ja037347x
Molecular Weight 880.175 g/mol
Sample ID 35527
Solvent CDCl3