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Methyl (3S/R,4S)-3-(2,2-Dimethyl-5-oxo-1,3-dioxane-4-yl)hexanoate
SpectraBase Compound ID JRvkRpu5IcP
InChI InChI=1S/C13H22O5/c1-5-6-9(7-11(15)16-4)12-10(14)8-17-13(2,3)18-12/h9,12H,5-8H2,1-4H3/t9?,12-/m0/s1
InChIKey CQBUXSWEUBXOIE-ACGXKRRESA-N
Mol Weight 258.31 g/mol
Molecular Formula C13H22O5
Exact Mass 258.146724 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3gi6blm36iD
Name Methyl (3S/R,4S)-3-(2,2-Dimethyl-5-oxo-1,3-dioxane-4-yl)hexanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O5
InChI InChI=1S/C13H22O5/c1-5-6-9(7-11(15)16-4)12-10(14)8-17-13(2,3)18-12/h9,12H,5-8H2,1-4H3/t9?,12-/m0/s1
InChIKey CQBUXSWEUBXOIE-ACGXKRRESA-N
Molecular Weight 258.314 g/mol
SMILES [C@@]1(OC(C)(C)OCC1=O)(C(CC(=O)OC)CCC)[H]
SPLASH splash10-0a4i-9000000000-57a42c97eb6cb9c6b581
Source of Spectrum SO-0-651-5
Wiley ID 874510