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3-(1-Acetoxy-1-methylethyl)-6-oxoheptanal
SpectraBase Compound ID 8hmuc6Csg8H
InChI InChI=1S/C12H20O4/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h8,11H,5-7H2,1-4H3
InChIKey JGHZACCUNUAHKA-UHFFFAOYSA-N
Mol Weight 228.29 g/mol
Molecular Formula C12H20O4
Exact Mass 228.136159 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B17LVlB1rMR
Name 3-(1-Acetoxy-1-methylethyl)-6-oxoheptanal
Alternate Name(s) Acetic acid[2-methyl-6-oxo-3-(2-oxoethyl)heptan-2-yl]ester Acetic acid[5-keto-2-(2-ketoethyl)-1,1-dimethyl-hexyl]ester [1,1-dimethyl-5-oxo-2-(2-oxoethyl)hexyl]acetate [2-methyl-6-oxidanylidene-3-(2-oxidanylideneethyl)heptan-2-yl]ethanoate [2-methyl-6-oxo-3-(2-oxoethyl)heptan-2-yl]acetate Acetic acid [2-methyl-6-oxo-3-(2-oxoethyl)heptan-2-yl] ester [2-methyl-6-oxo-3-(2-oxoethyl)heptan-2-yl] acetate [1,1-dimethyl-5-oxo-2-(2-oxoethyl)hexyl] acetate [2-methyl-6-oxidanylidene-3-(2-oxidanylideneethyl)heptan-2-yl] ethanoate
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Formula C12H20O4
InChI InChI=1S/C12H20O4/c1-9(14)5-6-11(7-8-13)12(3,4)16-10(2)15/h8,11H,5-7H2,1-4H3
InChIKey JGHZACCUNUAHKA-UHFFFAOYSA-N
Molecular Weight 228.288 g/mol
SMILES C(OC(=O)C)(C(CCC(=O)C)CC=O)(C)C
SPLASH splash10-0iru-9700000000-b3d0ad6ebf9c5e3e7e4d
Source of Spectrum F-54-9019-9
Wiley ID 808158