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(2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOMETHYLFERROCENE
SpectraBase Compound ID 1Y8kZFCaJF
InChI InChI=1S/C20H21O9S.C5H.Fe/c1-11(21)25-9-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-10-15-7-5-6-8-15;1-2-4-5-3-1;/h16-20H,9-10H2,1-4H3;1H;/t16-,17-,18+,19+,20-;;/m1../s1
InChIKey JYPJQYGFYMJJPE-GDUYSHEKSA-N
Mol Weight 554.35 g/mol
Molecular Formula C25H22FeO9S
Exact Mass 554.033389 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZwFxkCEqry
Name (2,3,4,6-TETRA-O-ACETYL-ALPHA-D-MANNOPYRANOSYL)-THIOMETHYLFERROCENE
Compound Number 6
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H22FeO9S
InChI InChI=1S/C20H21O9S.C5H.Fe/c1-11(21)25-9-16-17(26-12(2)22)18(27-13(3)23)19(28-14(4)24)20(29-16)30-10-15-7-5-6-8-15;1-2-4-5-3-1;/h16-20H,9-10H2,1-4H3;1H;/t16-,17-,18+,19+,20-;;/m1../s1
InChIKey JYPJQYGFYMJJPE-GDUYSHEKSA-N
Literature Reference Author J.M.CASAS-SOLVAS,A.VARGAS-BERENGUEL,L.F.CAPITAN-VALLVEY,F.SA NTOYO-GONZALEZ
Literature Reference Citation ORG.LETTERS,6,3687(2004)
Literature Reference DOI 10.1021/ol048665j
Molecular Weight 554.351 g/mol
Sample ID 52303
Solvent CDCl3