Attempts to assemble a universal NMR database without synthesis of NMR database compounds

Organic Letters

Volumn 8, Issue 17, 2006, Pages 3861-3864

  Seike, Hirofumi ^a   Ghosh, Indranath ^a   Kishi, Yoshito ^a  

^a HARVARD UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETIC ACID DERIVATIVE; HEPTOSE; PERACETIC ACID;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; FACTUAL DATABASE; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; STEREOISOMERISM;

ACETATES; DATABASES, FACTUAL; HEPTOSES; MAGNETIC RESONANCE SPECTROSCOPY; MOLECULAR STRUCTURE; PERACETIC ACID; STEREOISOMERISM;

EID: 33748618450     PISSN: 15237060     EISSN: None     Source Type: Journal    
DOI: 10.1021/ol061580t     Document Type: Article

References (29)

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20. 9
21. For complete analysis, see Supporting Information.
22. H.H's should be effective to predict the relative stereochemistry of five out of the six possible combinations of four subgroups. The details of this analysis are given in Supporting Information.
23. The details of this analysis are given in Supporting Information.
24. 11
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28. For profile comparison C in the heptaacetate 2 series, there was a second candidate (SAS subgroup) noticed. However, it was discarded because its profile fitness (Σ|ΔHz| = 2.9 Hz) was much worse than the candidate shown in Figure 5.
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