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rel-(2S,4R,6S)-4,6-Dimethyl-2-[4'-nitrophenyl]-1,3-dioxane
SpectraBase Compound ID 8zyEv9igx0h
InChI InChI=1S/C12H15NO4/c1-8-7-9(2)17-12(16-8)10-3-5-11(6-4-10)13(14)15/h3-6,8-9,12H,7H2,1-2H3/t8-,9+,12?
InChIKey YLMGXPIELVOYDG-USUYBEQLSA-N
Mol Weight 237.25 g/mol
Molecular Formula C12H15NO4
Exact Mass 237.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K16GUSqcBgr
Name rel-(2S,4R,6S)-4,6-Dimethyl-2-[4'-nitrophenyl]-1,3-dioxane
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Formula C12H15NO4
InChI InChI=1S/C12H15NO4/c1-8-7-9(2)17-12(16-8)10-3-5-11(6-4-10)13(14)15/h3-6,8-9,12H,7H2,1-2H3/t8-,9+,12?
InChIKey YLMGXPIELVOYDG-USUYBEQLSA-N
Molecular Weight 237.255 g/mol
SMILES c1(N(=O)=O)ccc(C2O[C@](C)(C[C@@](O2)(C)[H])[H])cc1
SPLASH splash10-0f6x-9400000000-44b7f9d3a75a4fab5480
Source of Spectrum C-113-8105-1
Synonyms (4R,6S)-4,6-dimethyl-2-(4-nitrophenyl)-1,3-dioxane
Wiley ID 1239466