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2,2-Dimethyl-5-oxoheptanoic acid ethyl ester
SpectraBase Compound ID Fd6fKwuRVP8
InChI InChI=1S/C11H20O3/c1-5-9(12)7-8-11(3,4)10(13)14-6-2/h5-8H2,1-4H3
InChIKey BCDQFWYBQYDFNP-UHFFFAOYSA-N
Mol Weight 200.28 g/mol
Molecular Formula C11H20O3
Exact Mass 200.141245 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 32pDvCAmQEr
Name 2,2-Dimethyl-5-oxoheptanoic acid ethyl ester
Alternate Name(s) 5-keto-2,2-dimethyl-enanthic acid ethyl ester 5-Keto-2,2-dimethylheptanoic acid, ethyl(ester) Ethyl 2,2-dimethyl-5-oxidanylidene-heptanoate Ethyl 2,2-dimethyl-5-oxo-heptanoate
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Formula C11H20O3
InChI InChI=1S/C11H20O3/c1-5-9(12)7-8-11(3,4)10(13)14-6-2/h5-8H2,1-4H3
InChIKey BCDQFWYBQYDFNP-UHFFFAOYSA-N
Molecular Weight 200.278 g/mol
SMILES C(C(CCC(=O)CC)(C)C)(=O)OCC
SPLASH splash10-0a4i-9100000000-ba608a569644e6d7da89
Source of Spectrum H-80-1334-14
Wiley ID 1197777