SpectraBase Compound ID | JjmFgBiqLiV |
---|---|
InChI | InChI=1S/C12H26O3/c1-4-9(2)12(15)10(3)11(14)7-5-6-8-13/h9-15H,4-8H2,1-3H3/t9-,10+,11+,12+/m0/s1 |
InChIKey | FIKFRBKHERHAPB-IRCOFANPSA-N |
Mol Weight | 218.34 g/mol |
Molecular Formula | C12H26O3 |
Exact Mass | 218.188195 g/mol |
Enantiomer InChIKey | FIKFRBKHERHAPB-RHYQMDGZSA-N |
Title | Journal or Book | Year |
---|---|---|
Toward the Creation of NMR Databases in Chiral Solvents for Assignments of Relative and Absolute Stereochemistry: Proof of Concept | Organic Letters | 2001 |
Toward Creation of a Universal NMR Database for the Stereochemical Assignment of Acyclic Compounds: The Case of Two Contiguous Propionate Units | Organic Letters | 1999 |
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