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Methyl 2,2-dimethyl-5-oxoheptanoate

View entire compound with spectra: 2 MS (GC)

Methyl 2,2-dimethyl-5-oxoheptanoate
SpectraBase Compound ID 7KXmLIngzH3
InChI InChI=1S/C10H18O3/c1-5-8(11)6-7-10(2,3)9(12)13-4/h5-7H2,1-4H3
InChIKey HFQVBXCDXGMBCJ-UHFFFAOYSA-N
Mol Weight 186.25 g/mol
Molecular Formula C10H18O3
Exact Mass 186.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CxzSn9fl4uu
Name Methyl 2,2-dimethyl-5-oxoheptanoate
Alternate Name(s) 2,2-Dimethyl-5-oxoheptanoic acid methyl ester 5-keto-2,2-dimethyl-enanthic acid methyl ester Methyl 2,2-dimethyl-5-oxidanylidene-heptanoate
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Formula C10H18O3
InChI InChI=1S/C10H18O3/c1-5-8(11)6-7-10(2,3)9(12)13-4/h5-7H2,1-4H3
InChIKey HFQVBXCDXGMBCJ-UHFFFAOYSA-N
Molecular Weight 186.251 g/mol
SMILES CCC(=O)CCC(C)(C)C(=O)OC
SPLASH splash10-0a6r-9200000000-d2cfbfa0a395461fb11f
Wiley ID 1473709